Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887289
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1F
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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 C29H25FN4O3S MW 528.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O3S/c1-18-26(28(36)34-19-8-4-3-5-9-19)27(22-10-6-7-11-24(22)30)23(16-31)29(32-18)38-17-25(35)33-20-12-14-21(37-2)15-13-20/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)InChIKey
XXEBSGOYMGRUMS-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methylNphenyl14dihydropyridine3carboxamide
5cyano4(2fluorophenyl)6(2(4methoxyanilino)2oxoethyl)sulfanyl2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4
InChI=1SC29H25FN4O3Sc11826(28(36)34198435919)27(2210671124(22)30)23(1631)29(3218)381725(35)3320121421(372)151320h3152732H17H212H3(H3335)(H3436)
MFCD10088159
ZINC000102719133
ZINC000102719136
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