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-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STK826837
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)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 C29H30ClN3O2S MW 520.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3O2S/c1-16-10-17(2)27(18(3)11-16)33-24(35)15-36-28-21(14-31)25(19-6-8-20(30)9-7-19)26-22(32-28)12-29(4,5)13-23(26)34/h6-11,25,32H,12-13,15H2,1-5H3,(H,33,35)InChIKey
QKZCOIBCFBNOHY-UHFFFAOYSA-NSynonyms
799808-54-12((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)Nmesitylacetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(246trimethylphenyl)acetamide
799808541
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N)C
InChI=1SC29H30ClN3O2Sc1161017(2)27(18(3)1116)3324(35)15362821(1431)25(196820(30)9719)2622(3228)1229(45)1323(26)34h6112532H121315H215H3(H3335)
MFCD03679786
ZINC000013297898
ZINC000013297915
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