Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826326
SMILES COc1ccc(c(c1)[N+](=O)[O-])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 C28H21ClF3N5O6S MW 648.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClF3N5O6S/c1-14-24(26(39)36-20-10-15(28(30,31)32)5-7-18(20)29)25(22-4-3-9-43-22)17(12-33)27(34-14)44-13-23(38)35-19-8-6-16(42-2)11-21(19)37(40)41/h3-11,25,34H,13H2,1-2H3,(H,35,38)(H,36,39)InChIKey
MALLEOKJXACUBV-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C#N)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccco1
InChI=1SC28H21ClF3N5O6Sc11424(26(39)36201015(28(3031)32)5718(20)29)25(224394322)17(1233)27(3414)441323(38)35198616(422)1121(19)37(40)41h3112534H13H212H3(H3538)(H3639)
MFCD10086228
N(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)6((2((4methoxy2nitrophenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxamide
N(2chloro5(trifluoromethyl)phenyl)5cyano4(furan2yl)6(2(4methoxy2nitroanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxamide
ZINC000098048895
ZINC000098048896
Check stock
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Check stock on Vitas-MAvailable files
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