Vitas-M small molecule compound

6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Catalog ID
STK885937
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)C)NC(=C(C1c1ccc(c(c1)OC)O)C(=O)Nc1ccccc1)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 C31H28N4O5S MW 568.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O5S/c1-18-28(30(39)35-22-7-5-4-6-8-22)29(21-11-14-25(37)26(15-21)40-3)24(16-32)31(33-18)41-17-27(38)34-23-12-9-20(10-13-23)19(2)36/h4-15,29,33,37H,17H2,1-3H3,(H,34,38)(H,35,39)
InChIKey
RBQLUUOPGDHMQQ-UHFFFAOYSA-N
Synonyms

6((2((4acetylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
6(2(4acetylanilino)2oxoethyl)sulfanyl5cyano4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)C)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4
InChI=1SC31H28N4O5Sc11828(30(39)35227546822)29(21111425(37)26(1521)403)24(1632)31(3318)411727(38)342312920(101323)19(2)36h415293337H17H213H3(H3438)(H3539)
MFCD10086494
ZINC000098048775
ZINC000098048776

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Available files

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