Vitas-M small molecule compound
5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887339
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1C)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/c1-18-13-14-22(15-20(18)3)35-27(37)17-39-31-24(16-33)29(23-10-6-7-11-25(23)32)28(21(4)34-31)30(38)36-26-12-8-5-9-19(26)2/h5-15,29,34H,17H2,1-4H3,(H,35,37)(H,36,38)InChIKey
IHFNDJJLBPNJGS-UHFFFAOYSA-NSynonyms
5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2fluorophenyl)2methylN(2methylphenyl)14dihydropyridine3carboxamide
5cyano6(2(34dimethylanilino)2oxoethyl)sulfanyl4(2fluorophenyl)2methylN(2methylphenyl)14dihydropyridine3carboxamide
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CC=C4F)C#N)C
InChI=1SC31H29FN4O2Sc118131422(1520(18)3)3527(37)17393124(1633)29(2310671125(23)32)28(21(4)3431)30(38)36261285919(26)2h5152934H17H214H3(H3537)(H3638)
MFCD10088191
ZINC000102809894
ZINC000102809895
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