Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STL123584
SMILES CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(cc1)[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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-2-25-18(22)15-5-3-4-6-16(15)19-17(21)12-9-13-7-10-14(11-8-13)20(23)24/h3-12H,2H2,1H3,(H,19,21)/b12-9+
InChIKey
XIUHMLHAACTRRA-FMIVXFBMSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O)
CCOC(=O)c1ccccc1NC(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
ethyl2(((2E)3(4nitrophenyl)prop2enoyl)amino)benzoate
ETHYL2(((E)3(4NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
InChI=1SC18H16N2O5c122518(22)15534616(15)1917(21)1291371014(11813)20(23)24h312H2H21H3(H1921)b129+
MFCD01352748
ZINC000005102551
ZINC05102551
ZINC5102551

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Available files

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