Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STK553526
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)OC)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-17-5-9-19(10-6-17)30-24(33)16-35-27-21(15-29)25(18-7-11-20(34-4)12-8-18)26-22(31-27)13-28(2,3)14-23(26)32/h5-12,25,31H,13-14,16H2,1-4H3,(H,30,33)InChIKey
JEIBJYIMBIJFFV-UHFFFAOYSA-NSynonyms
799776-79-72((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(ptolyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4methylphenyl)acetamide
799776797
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N
InChI=1SC28H29N3O3Sc1175919(10617)3024(33)16352721(1529)25(1871120(344)12818)2622(3127)1328(23)1423(26)32h5122531H131416H214H3(H3033)
MFCD03672976
ZINC000013189333
ZINC000013189336
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