Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826444
SMILES COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1cc(ccc1Cl)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 C28H22ClF3N4O4S MW 603.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClF3N4O4S/c1-15-24(26(38)36-21-11-16(28(30,31)32)8-9-20(21)29)25(22-7-4-10-40-22)19(13-33)27(34-15)41-14-23(37)35-17-5-3-6-18(12-17)39-2/h3-12,25,34H,14H2,1-2H3,(H,35,37)(H,36,38)InChIKey
DJQKVZQGWGDVRK-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI=1SC28H22ClF3N4O4Sc11524(26(38)36211116(28(3031)32)8920(21)29)25(2274104022)19(1333)27(3415)411423(37)351753618(1217)392h3122534H14H212H3(H3537)(H3638)
MFCD10086380
N(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxamide
N(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)6(2(3methoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxamide
ZINC000098048630
ZINC000098048631
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