Vitas-M small molecule compound

ethyl 2-(1H-imidazol-1-yl)-5-nitrobenzoate

Catalog ID
STK665183
SMILES CCOC(=O)c1cc(ccc1n1cncc1)[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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-2-19-12(16)10-7-9(15(17)18)3-4-11(10)14-6-5-13-8-14/h3-8H,2H2,1H3
InChIKey
NYZBRGPLOGKWQG-UHFFFAOYSA-N
Synonyms
893781-41-4
893781414
CCOC(=O)C1=C(C=CC(=C1)(N+)(=O)(O))N2C=CN=C2
CCOC(=O)c1cc(ccc1n1cncc1)(N+)(=O)(O)
ethyl2(1Himidazol1yl)5nitrobenzoate
ETHYL2IMIDAZOL1YL5NITROBENZOATE
ETHYL2IMIDAZOLYL5NITROBENZOATE
InChI=1SC12H11N3O4c121912(16)1079(15(17)18)3411(10)146513814h38H2H21H3
MFCD08142307
ZINC000006659283
ZINC06659283
ZINC6659283

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Available files

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