Vitas-M small molecule compound
5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826528
SMILES N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)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 C31H30N4O4S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4S/c1-18-10-11-19(2)24(14-18)35-27(37)17-40-31-23(16-32)29(21-12-13-25(36)26(15-21)39-4)28(20(3)33-31)30(38)34-22-8-6-5-7-9-22/h5-15,29,33,36H,17H2,1-4H3,(H,34,38)(H,35,37)InChIKey
UUVPBYHAQFYRKZ-UHFFFAOYSA-NSynonyms
5cyano6((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
5cyano6(2(25dimethylanilino)2oxoethyl)sulfanyl4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C#N
InChI=1SC31H30N4O4Sc118101119(2)24(1418)3527(37)17403123(1632)29(21121325(36)26(1521)394)28(20(3)3331)30(38)34228657922h515293336H17H214H3(H3438)(H3537)
MFCD10086491
ZINC000098048769
ZINC000098048770
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