Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827698
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1ccccc1F)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 C31H29FN4O2S MW 540.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O2S/c1-18-14-19(2)29(20(3)15-18)36-26(37)17-39-31-24(16-33)28(23-12-8-9-13-25(23)32)27(21(4)34-31)30(38)35-22-10-6-5-7-11-22/h5-15,28,34H,17H2,1-4H3,(H,35,38)(H,36,37)InChIKey
ADLLRFJXUPHKPR-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)2methyl6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)Nphenyl14dihydropyridine3carboxamide
5cyano4(2fluorophenyl)2methyl6(2oxo2(246trimethylanilino)ethyl)sulfanylNphenyl14dihydropyridine3carboxamide
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4F)C#N)C
InChI=1SC31H29FN4O2Sc1181419(2)29(20(3)1518)3626(37)17393124(1633)28(2312891325(23)32)27(21(4)3431)30(38)3522106571122h5152834H17H214H3(H3538)(H3637)
MFCD10088198
ZINC000102810176
ZINC000102810179
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