Vitas-M small molecule compound
methyl 4-methyl-3,5-dinitrobenzoate
Catalog ID
STK365759
SMILES COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C
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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/c1-5-7(10(13)14)3-6(9(12)17-2)4-8(5)11(15)16/h3-4H,1-2H3InChIKey
GQPWXQIRPQMEIJ-UHFFFAOYSA-NSynonyms
49592-71-449592714
4METHYL35DINITROBENZOICACIDMETHYLESTER
4METHYL35DINITROMETHYLBENZOATE
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)OC)(N+)(=O)(O)
COC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
InChI=1SC9H8N2O6c157(10(13)14)36(9(12)172)48(5)11(15)16h34H12H3
methyl4methyl35dinitrobenzoate
MFCD00451040
ZINC000003161141
ZINC03161141
ZINC3161141
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