Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885844
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)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 C28H22ClF3N4O3S MW 587.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClF3N4O3S/c1-16-24(26(38)36-21-12-18(28(30,31)32)9-10-20(21)29)25(22-8-5-11-39-22)19(13-33)27(35-16)40-15-23(37)34-14-17-6-3-2-4-7-17/h2-12,25,35H,14-15H2,1H3,(H,34,37)(H,36,38)InChIKey
GJPVZCQSEWHNMX-UHFFFAOYSA-NSynonyms
6((2(benzylamino)2oxoethyl)sulfanyl)N(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanylN(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI=1SC28H22ClF3N4O3Sc11624(26(38)36211218(28(3031)32)91020(21)29)25(2285113922)19(1333)27(3516)401523(37)3414176324717h2122535H1415H21H3(H3437)(H3638)
MFCD10086389
ZINC000098048644
ZINC000098048645
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