Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885822
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1ccco1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F)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 C29H24ClF3N4O3S MW 601.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClF3N4O3S/c1-3-17-7-4-5-8-21(17)36-24(38)15-41-28-19(14-34)26(23-9-6-12-40-23)25(16(2)35-28)27(39)37-22-13-18(29(31,32)33)10-11-20(22)30/h4-13,26,35H,3,15H2,1-2H3,(H,36,38)(H,37,39)InChIKey
DEVRQXJLKRPNLB-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CO4)C#N
InChI=1SC29H24ClF3N4O3Sc1317745821(17)3624(38)15412819(1434)26(2396124023)25(16(2)3528)27(39)37221318(29(3132)33)101120(22)30h4132635H315H212H3(H3638)(H3739)
MFCD10086355
N(2chloro5(trifluoromethyl)phenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
N(2chloro5(trifluoromethyl)phenyl)5cyano6(2(2ethylanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carboxamide
ZINC000098048596
ZINC000098048597
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