Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STK826882
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
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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 C27H26ClN3O2S MW 492.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O2S/c1-16-4-10-19(11-5-16)30-23(33)15-34-26-20(14-29)24(17-6-8-18(28)9-7-17)25-21(31-26)12-27(2,3)13-22(25)32/h4-11,24,31H,12-13,15H2,1-3H3,(H,30,33)InChIKey
PZZBEQWVRVQUHF-UHFFFAOYSA-NSynonyms
799827-38-62((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(ptolyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
799827386
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N
InChI=1SC27H26ClN3O2Sc11641019(11516)3023(33)15342620(1429)24(176818(28)9717)2521(3126)1227(23)1322(25)32h4112431H121315H213H3(H3033)
MFCD03683546
ZINC000013297952
ZINC000013297953
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