Vitas-M small molecule compound
5-cyano-4-(furan-2-yl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885994
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1cccc(c1)C(F)(F)F)c1ccco1
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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 C28H22F3N3O4S MW 553.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F3N3O4S/c1-16-24(26(36)34-19-6-3-5-18(13-19)28(29,30)31)25(23-7-4-12-38-23)21(14-32)27(33-16)39-15-22(35)17-8-10-20(37-2)11-9-17/h3-13,25,33H,15H2,1-2H3,(H,34,36)InChIKey
GQRNOHBLIPVESJ-UHFFFAOYSA-NSynonyms
5cyano4(furan2yl)6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methylN(3(trifluoromethyl)phenyl)14dihydropyridine3carboxamide
5cyano4(furan2yl)6(2(4methoxyphenyl)2oxoethyl)sulfanyl2methylN(3(trifluoromethyl)phenyl)14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC28H22F3N3O4Sc11624(26(36)341963518(1319)28(2930)31)25(2374123823)21(1432)27(3316)391522(35)1781020(372)11917h3132533H15H212H3(H3436)
MFCD10086531
ZINC000102807520
ZINC000102807523
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