Vitas-M small molecule compound
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-{2-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-2-oxoethyl}methanesulfonamide (non-preferred name)
Catalog ID
STK917438
SMILES COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)C(F)(F)F)Cl
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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 C18H16ClF3N4O6S MW 508.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClF3N4O6S/c1-32-16-6-3-11(7-15(16)26(28)29)9-23-24-17(27)10-25(33(2,30)31)12-4-5-14(19)13(8-12)18(20,21)22/h3-9H,10H2,1-2H3,(H,24,27)/b23-9+InChIKey
KZQKTGFNMKVQTI-NUGSKGIGSA-NSynonyms
2(4chloroNmethylsulfonyl3(trifluoromethyl)anilino)N((E)(4methoxy3nitrophenyl)methylideneamino)acetamide
COC1=C(C=C(C=C1)C=NNC(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C=NNC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)C(F)(F)F)Cl
InChI=1SC18H16ClF3N4O6Sc132166311(715(16)26(28)29)9232417(27)1025(33(230)31)124514(19)13(812)18(2021)22h39H10H212H3(H2427)b239+
MFCD03563545
N(4chloro3(trifluoromethyl)phenyl)N(2((2E)2(4methoxy3nitrobenzylidene)hydrazinyl)2oxoethyl)methanesulfonamide(nonpreferredname)
ZINC000015231311
ZINC33563560
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