Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK788617
SMILES COc1ccc(cc1)C1C(=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C28H28ClN3O4S MW 538.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O4S/c1-28(2)12-21-26(22(33)13-28)25(16-5-8-18(35-3)9-6-16)19(14-30)27(32-21)37-15-24(34)31-20-11-17(29)7-10-23(20)36-4/h5-11,25,32H,12-13,15H2,1-4H3,(H,31,34)InChIKey
FSRRIGPYUDXAHJ-UHFFFAOYSA-NSynonyms
443733-38-8443733388
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC28H28ClN3O4Sc128(2)122126(22(33)1328)25(165818(353)9616)19(1430)27(3221)371524(34)31201117(29)71023(20)364h5112532H121315H214H3(H3134)
MFCD03672215
N(5chloro2methoxyphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(5chloro2methoxyphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamide
N(5chloro2methoxyphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000001472096
ZINC000001472097
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