Vitas-M small molecule compound
(2E)-2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Catalog ID
STK084744
SMILES N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1cc(ccc1OC)[N+](=O)[O-]
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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 C18H12F3N3O4 MW 391.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N3O4/c1-28-16-6-5-14(24(26)27)9-15(16)23-17(25)12(10-22)7-11-3-2-4-13(8-11)18(19,20)21/h2-9H,1H3,(H,23,25)/b12-7+InChIKey
MHEJMRXQEZOLAX-KPKJPENVSA-NSynonyms
(2E)2CYANON(2METHOXY5NITROPHENYL)3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENAMIDE
(E)2CYANON(2METHOXY5NITROPHENYL)3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N
InChI=1SC18H12F3N3O4c128166514(24(26)27)915(16)2317(25)12(1022)71132413(811)18(1920)21h29H1H3(H2325)b127+
MFCD03032980
N#CC(=Cc1cccc(c1)C(F)(F)F)C(=O)Nc1cc(ccc1OC)(N+)(=O)(O)
STK084744
ZINC000004672571
ZINC04672571
ZINC4672571
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