Vitas-M small molecule compound
methyl 4-amino-3,5-dinitrobenzoate
Catalog ID
STK781900
SMILES COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N
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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 C8H7N3O6 MW 241.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7N3O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16/h2-3H,9H2,1H3InChIKey
PXMURBICUSFNIK-UHFFFAOYSA-NSynonyms
54226-20-94AMINO35DINITROBENZOICACIDMETHYLESTER
54226209
BENZOICACID4AMINO35DINITROMETHYLESTER
COC(=O)C1=CC(=C(C(=C1)(N+)(=O)(O))N)(N+)(=O)(O)
COC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))N
InChI=1SC8H7N3O6c1178(12)425(10(13)14)7(9)6(34)11(15)16h23H9H21H3
methyl4amino35dinitrobenzoate
MFCD06016166
ZINC000004342953
ZINC04342953
ZINC4342953
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