Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK538420
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CCC2
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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 C25H22ClN3O2S MW 463.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O2S/c1-15-4-2-5-18(12-15)28-22(31)14-32-25-19(13-27)23(16-8-10-17(26)11-9-16)24-20(29-25)6-3-7-21(24)30/h2,4-5,8-12,23,29H,3,6-7,14H2,1H3,(H,28,31)InChIKey
DJBLBMXUPUBROF-UHFFFAOYSA-NSynonyms
370855-37-12((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(3methylphenyl)acetamide
2((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(mtolyl)acetamide
2((4(4chlorophenyl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(3methylphenyl)acetamide
370855371
CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)Cl)C#N
InChI=1SC25H22ClN3O2Sc11542518(1215)2822(31)14322519(1327)23(1681017(26)11916)2420(2925)63721(24)30h2458122329H36714H21H3(H2831)
MFCD03000002
ZINC000013174282
ZINC000013174284
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