Vitas-M small molecule compound
ethyl 4-{[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Catalog ID
STK748787
SMILES CCOC(=O)CC(=O)CSc1nc2CCCCc2c(c1C#N)c1ccc(cc1)Cl
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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 C22H21ClN2O3S MW 428.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O3S/c1-2-28-20(27)11-16(26)13-29-22-18(12-24)21(14-7-9-15(23)10-8-14)17-5-3-4-6-19(17)25-22/h7-10H,2-6,11,13H2,1H3InChIKey
RROFBHZVXOWLOE-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)Cl
ethyl4((4(4chlorophenyl)3cyano5678tetrahydroquinolin2yl)sulfanyl)3oxobutanoate
InChI=1SC22H21ClN2O3Sc122820(27)1116(26)13292218(1224)21(147915(23)10814)17534619(17)2522h710H261113H21H3
MFCD00743857
ZINC000008856225
ZINC08856225
ZINC8856225
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