Vitas-M small molecule compound

methyl 3-methyl-2,6-dinitrobenzoate

Catalog ID
STK365712
SMILES COC(=O)c1c(ccc(c1[N+](=O)[O-])C)[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/c1-5-3-4-6(10(13)14)7(9(12)17-2)8(5)11(15)16/h3-4H,1-2H3
InChIKey
SCIWKZQHKNQLKK-UHFFFAOYSA-N
Synonyms
83807-18-5
3METHYL26DINITROBENZOICACIDMETHYLESTER
83807185
CC1=C(C(=C(C=C1)(N+)(=O)(O))C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(ccc(c1(N+)(=O)(O))C)(N+)(=O)(O)
InChI=1SC9H8N2O6c15346(10(13)14)7(9(12)172)8(5)11(15)16h34H12H3
methyl3methyl26dinitrobenzoate
MFCD00451031
ZINC000003161137
ZINC03161137
ZINC3161137

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Available files

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