Vitas-M small molecule compound
2-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]phenyl 4-nitrobenzoate
Catalog ID
STK364686
SMILES N#C/C(=C\c1ccccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)c1ccccc1
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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 C23H14N2O5 MW 398.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O5/c24-15-19(22(26)16-6-2-1-3-7-16)14-18-8-4-5-9-21(18)30-23(27)17-10-12-20(13-11-17)25(28)29/h1-14H/b19-14+InChIKey
OVXCAOALNNSXGS-XMHGGMMESA-NSynonyms
(2((E)2CYANO3OXO3PHENYLPROP1ENYL)PHENYL)4NITROBENZOATE
2((1E)2CYANO3OXO3PHENYLPROP1EN1YL)PHENYL4NITROBENZOATE
2((1E)2CYANO3OXO3PHENYLPROP1ENYL)PHENYL4NITROBENZOATE
C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC23H14N2O5c241519(22(26)166213716)1418845921(18)3023(27)17101220(131117)25(28)29h114Hb1914+
MFCD02193191
N#CC(=Cc1ccccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1
ZINC000004520509
ZINC04520509
ZINC4520509
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