Vitas-M small molecule compound

2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diphenylacetamide

Catalog ID
STK549263
SMILES N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

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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 C31H27N3O4S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O4S/c1-38-27-17-20(15-16-25(27)35)29-23(18-32)31(33-24-13-8-14-26(36)30(24)29)39-19-28(37)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,15-17,29,33,35H,8,13-14,19H2,1H3
InChIKey
QFLKCHDAKFKINX-UHFFFAOYSA-N
Synonyms
799770-80-2
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)NNdiphenylacetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)NNdiphenylacetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)NNdiphenylacetamide
799770802
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O
InChI=1SC31H27N3O4Sc138271720(151625(27)35)2923(1832)31(33241381426(36)30(24)29)391928(37)34(2194251021)22116371222h279121517293335H8131419H21H3
MFCD03671586
ZINC000002204170
ZINC000002204173

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Available files

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