Vitas-M small molecule compound
5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826482
SMILES N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)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 C31H30N4O3S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3S/c1-19-11-10-12-20(2)29(19)35-26(36)18-39-31-23(17-32)28(22-13-6-5-7-14-22)27(21(3)33-31)30(37)34-24-15-8-9-16-25(24)38-4/h5-16,28,33H,18H2,1-4H3,(H,34,37)(H,35,36)InChIKey
CTOPZERLZOZOCX-UHFFFAOYSA-NSynonyms
5cyano6((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)N(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
5cyano6(2(26dimethylanilino)2oxoethyl)sulfanylN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N
InChI=1SC31H30N4O3Sc11911101220(2)29(19)3526(36)18393123(1732)28(22136571422)27(21(3)3331)30(37)342415891625(24)384h5162833H18H214H3(H3437)(H3536)
MFCD10086432
ZINC000098048702
ZINC000098048703
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