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-(3-methoxyphenyl)acetamide
Catalog ID
STK886351
SMILES COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-27(2)12-21-25(22(32)13-27)24(16-7-9-17(28)10-8-16)20(14-29)26(31-21)35-15-23(33)30-18-5-4-6-19(11-18)34-3/h4-11,24,31H,12-13,15H2,1-3H3,(H,30,33)InChIKey
SKJWOWBZDGIZMX-UHFFFAOYSA-NSynonyms
799816-63-02((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(3methoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(3methoxyphenyl)acetamide
799816630
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC(=CC=C3)OC)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C
InChI=1SC27H26ClN3O3Sc127(2)122125(22(32)1327)24(167917(28)10816)20(1429)26(3121)351523(33)301854619(1118)343h4112431H121315H213H3(H3033)
MFCD03680988
ZINC000009109833
ZINC000009110098
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