Vitas-M small molecule compound
butyl [(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Catalog ID
STK843457
SMILES CCCCOC(=O)CSc1nc2CC(C)(C)CC(=O)c2cc1C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H22N2O3S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S/c1-4-5-6-23-16(22)11-24-17-12(10-19)7-13-14(20-17)8-18(2,3)9-15(13)21/h7H,4-6,8-9,11H2,1-3H3InChIKey
AMUOCXTWVRMFSX-UHFFFAOYSA-NSynonyms
442557-78-0442557780
butyl((3cyano77dimethyl5oxo5678tetrahydroquinolin2yl)sulfanyl)acetate
butyl2((3cyano77dimethyl5oxo5678tetrahydroquinolin2yl)thio)acetate
BUTYL2((3CYANO77DIMETHYL5OXO68DIHYDROQUINOLIN2YL)SULFANYL)ACETATE
CCCCOC(=O)CSC1=NC2=C(C=C1C#N)C(=O)CC(C2)(C)C
InChI=1SC18H22N2O3Sc14562316(22)11241712(1019)71314(2017)818(23)915(13)21h7H468911H213H3
MFCD03664643
ZINC000004192855
ZINC04192855
ZINC4192855
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