Vitas-M small molecule compound

methyl 5-methyl-2,4-dinitrobenzoate

Catalog ID
STK753191
SMILES COC(=O)c1cc(C)c(cc1[N+](=O)[O-])[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 C9H8N2O6 MW 240.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O6/c1-5-3-6(9(12)17-2)8(11(15)16)4-7(5)10(13)14/h3-4H,1-2H3
InChIKey
ODNYLVYXOHNFOS-UHFFFAOYSA-N
Synonyms

5METHYL24DINITROBENZOICACIDMETHYLESTER
CC1=C(C=C(C(=C1)C(=O)OC)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(C)c(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC9H8N2O6c1536(9(12)172)8(11(15)16)47(5)10(13)14h34H12H3
methyl5methyl24dinitrobenzoate
MFCD00451032
ZINC000003161138
ZINC03161138
ZINC3161138

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Available files

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