Vitas-M small molecule compound

(2E)-2-cyano-N-(2-methyl-4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Catalog ID
STK064079
SMILES N#C/C(=C\c1cccc(c1)C(F)(F)F)/C(=O)Nc1ccc(cc1C)[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 C18H12F3N3O3 MW 375.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N3O3/c1-11-7-15(24(26)27)5-6-16(11)23-17(25)13(10-22)8-12-3-2-4-14(9-12)18(19,20)21/h2-9H,1H3,(H,23,25)/b13-8+
InChIKey
RYMOGBHLGPULNN-MDWZMJQESA-N
Synonyms

(2E)2CYANON(2METHYL4NITROPHENYL)3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENAMIDE
(E)2CYANON(2METHYL4NITROPHENYL)3(3(TRIFLUOROMETHYL)PHENYL)PROP2ENAMIDE
2CYANON(2METHYL4NITROPHENYL)3(3TRIFLUOROMETHYLPHENYL)ACRYLAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N
InChI=1SC18H12F3N3O3c111715(24(26)27)5616(11)2317(25)13(1022)81232414(912)18(1920)21h29H1H3(H2325)b138+
MFCD02225268
N#CC(=Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1C)(N+)(=O)(O)
STK064079
ZINC000004953821
ZINC04953821
ZINC4953821

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.