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Filtered Search Results
Etravirine, Thermo Scientific™
CAS: 269055-15-4 Molecular Formula: C20H15BrN6O Molecular Weight (g/mol): 435.29 MDL Number: MFCD09837879 InChI Key: PYGWGZALEOIKDF-UHFFFAOYSA-N Synonym: 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile IUPAC Name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N
| CAS | 269055-15-4 |
|---|---|
| Molecular Weight (g/mol) | 435.29 |
| MDL Number | MFCD09837879 |
| SMILES | CC1=CC(=CC(C)=C1OC1=NC(NC2=CC=C(C=C2)C#N)=NC(N)=C1Br)C#N |
| Synonym | 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile |
| IUPAC Name | 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile |
| InChI Key | PYGWGZALEOIKDF-UHFFFAOYSA-N |
| Molecular Formula | C20H15BrN6O |
Fenticonazole nitrate, Thermo Scientific™
CAS: 73151-29-8 Molecular Formula: C24H21Cl2N3O4S Molecular Weight (g/mol): 518.41 MDL Number: 00941391 InChI Key: FJNRUWDGCVDXLU-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=CC=C(SC3=CC=CC=C3)C=C2)C(Cl)=C1
| CAS | 73151-29-8 |
|---|---|
| Molecular Weight (g/mol) | 518.41 |
| MDL Number | 00941391 |
| SMILES | O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=CC=C(SC3=CC=CC=C3)C=C2)C(Cl)=C1 |
| IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid |
| InChI Key | FJNRUWDGCVDXLU-UHFFFAOYNA-N |
| Molecular Formula | C24H21Cl2N3O4S |
Guanethidine sulfate, Thermo Scientific™
CAS: 645-43-2 Molecular Formula: C10H24N4O4S Molecular Weight (g/mol): 296.39 MDL Number: MFCD00035403 InChI Key: YUFWAVFNITUSHI-UHFFFAOYSA-N IUPAC Name: N''-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid SMILES: OS(O)(=O)=O.NC(N)=NCCN1CCCCCCC1
| CAS | 645-43-2 |
|---|---|
| Molecular Weight (g/mol) | 296.39 |
| MDL Number | MFCD00035403 |
| SMILES | OS(O)(=O)=O.NC(N)=NCCN1CCCCCCC1 |
| IUPAC Name | N''-[2-(azocan-1-yl)ethyl]guanidine; sulfuric acid |
| InChI Key | YUFWAVFNITUSHI-UHFFFAOYSA-N |
| Molecular Formula | C10H24N4O4S |
Thermo Scientific Chemicals Vandetanib
CAS: 443913-73-3 Molecular Formula: C22H24BrFN4O2 Molecular Weight (g/mol): 475.36 InChI Key: UHTHHESEBZOYNR-UHFFFAOYSA-N IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine SMILES: COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=CC=C(Br)C=C3F)C2=C1
| CAS | 443913-73-3 |
|---|---|
| Molecular Weight (g/mol) | 475.36 |
| SMILES | COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=CC=C(Br)C=C3F)C2=C1 |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
| InChI Key | UHTHHESEBZOYNR-UHFFFAOYSA-N |
| Molecular Formula | C22H24BrFN4O2 |
Febantel, Thermo Scientific™
CAS: 58306-30-2 Molecular Formula: C20H22N4O6S Molecular Weight (g/mol): 446.48 MDL Number: 01738527 InChI Key: HMCCXLBXIJMERM-UHFFFAOYSA-N IUPAC Name: methyl N-{[(methoxycarbonyl)imino]({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino})methyl}carbamate SMILES: COCC(=O)NC1=CC(SC2=CC=CC=C2)=CC=C1NC(NC(=O)OC)=NC(=O)OC
| CAS | 58306-30-2 |
|---|---|
| Molecular Weight (g/mol) | 446.48 |
| MDL Number | 01738527 |
| SMILES | COCC(=O)NC1=CC(SC2=CC=CC=C2)=CC=C1NC(NC(=O)OC)=NC(=O)OC |
| IUPAC Name | methyl N-{[(methoxycarbonyl)imino]({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino})methyl}carbamate |
| InChI Key | HMCCXLBXIJMERM-UHFFFAOYSA-N |
| Molecular Formula | C20H22N4O6S |
Oxibendazole, Thermo Scientific™
CAS: 20559-55-1 Molecular Formula: C12H15N3O3 Molecular Weight (g/mol): 249.27 MDL Number: 00133728 InChI Key: RAOCRURYZCVHMG-UHFFFAOYSA-N IUPAC Name: methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate SMILES: CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1
| CAS | 20559-55-1 |
|---|---|
| Molecular Weight (g/mol) | 249.27 |
| MDL Number | 00133728 |
| SMILES | CCCOC1=CC=C2N=C(NC(=O)OC)NC2=C1 |
| IUPAC Name | methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate |
| InChI Key | RAOCRURYZCVHMG-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O3 |
Oxfendazole, Thermo Scientific™
CAS: 53716-50-0 Molecular Formula: C15H13N3O3S Molecular Weight (g/mol): 315.35 MDL Number: 00801063 InChI Key: BEZZFPOZAYTVHN-UHFFFAOYNA-N IUPAC Name: methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1
| CAS | 53716-50-0 |
|---|---|
| Molecular Weight (g/mol) | 315.35 |
| MDL Number | 00801063 |
| SMILES | COC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)C1=CC=CC=C1 |
| IUPAC Name | methyl N-[6-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate |
| InChI Key | BEZZFPOZAYTVHN-UHFFFAOYNA-N |
| Molecular Formula | C15H13N3O3S |
Atovaquone, Thermo Scientific™
CAS: 95233-18-4 Molecular Formula: C22H19ClO3 Molecular Weight (g/mol): 366.84 MDL Number: 00889188 InChI Key: BSJMWHQBCZFXBR-UHFFFAOYSA-N IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione SMILES: OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12
| CAS | 95233-18-4 |
|---|---|
| Molecular Weight (g/mol) | 366.84 |
| MDL Number | 00889188 |
| SMILES | OC1=C(C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C(=O)C2=CC=CC=C12 |
| IUPAC Name | 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-dihydronaphthalene-1,2-dione |
| InChI Key | BSJMWHQBCZFXBR-UHFFFAOYSA-N |
| Molecular Formula | C22H19ClO3 |
Bromfenac sodium, Thermo Scientific™
CAS: 91714-93-1 Molecular Formula: C15H11BrNNaO3 Molecular Weight (g/mol): 356.15 MDL Number: MFCD03701673 InChI Key: HZFGMQJYAFHESD-UHFFFAOYSA-M IUPAC Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate SMILES: [Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1
| CAS | 91714-93-1 |
|---|---|
| Molecular Weight (g/mol) | 356.15 |
| MDL Number | MFCD03701673 |
| SMILES | [Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1 |
| IUPAC Name | sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate |
| InChI Key | HZFGMQJYAFHESD-UHFFFAOYSA-M |
| Molecular Formula | C15H11BrNNaO3 |
Ketorolac tromethamine, Thermo Scientific™
CAS: 74103-07-4 Molecular Formula: C19H24N2O6 Molecular Weight (g/mol): 376.41 MDL Number: 00887595 InChI Key: BWHLPLXXIDYSNW-UHFFFAOYNA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid SMILES: NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1
| CAS | 74103-07-4 |
|---|---|
| Molecular Weight (g/mol) | 376.41 |
| MDL Number | 00887595 |
| SMILES | NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
| InChI Key | BWHLPLXXIDYSNW-UHFFFAOYNA-N |
| Molecular Formula | C19H24N2O6 |
Gestodene, Thermo Scientific™
CAS: 60282-87-3 Molecular Formula: C21H26O2 Molecular Weight (g/mol): 310.44 MDL Number: 00867858 InChI Key: SIGSPDASOTUPFS-KQMXEUTGSA-N Synonym: 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one IUPAC Name: (1R)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C
| CAS | 60282-87-3 |
|---|---|
| Molecular Weight (g/mol) | 310.44 |
| MDL Number | 00867858 |
| SMILES | CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C |
| Synonym | 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one |
| IUPAC Name | (1R)-11a-ethyl-1-ethynyl-1-hydroxy-1H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one |
| InChI Key | SIGSPDASOTUPFS-KQMXEUTGSA-N |
| Molecular Formula | C21H26O2 |