Vitas-M small molecule compound
5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887334
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC(=C(C1c1ccccc1F)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 C31H29FN4O3S MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN4O3S/c1-18-13-14-21(15-19(18)2)35-27(37)17-40-31-23(16-33)29(22-9-5-6-10-24(22)32)28(20(3)34-31)30(38)36-25-11-7-8-12-26(25)39-4/h5-15,29,34H,17H2,1-4H3,(H,35,37)(H,36,38)InChIKey
HBCDHWBLQXXNQF-UHFFFAOYSA-NSynonyms
5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
5cyano6(2(34dimethylanilino)2oxoethyl)sulfanyl4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4F)C#N)C
InChI=1SC31H29FN4O3Sc118131421(1519(18)2)3527(37)17403123(1633)29(229561024(22)32)28(20(3)3431)30(38)362511781226(25)394h5152934H17H214H3(H3537)(H3638)
MFCD10088188
ZINC000102719413
ZINC000102719416
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