Vitas-M small molecule compound

methyl 2-amino-3,5-dinitrobenzoate

Catalog ID
STK370831
SMILES COC(=O)c1cc(cc(c1N)[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 C8H7N3O6 MW 241.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H7N3O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,9H2,1H3
InChIKey
BLVZXLIGARVLJC-UHFFFAOYSA-N
Synonyms
22603-10-7
22603107
COC(=O)C1=CC(=CC(=C1N)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc(c1N)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC8H7N3O6c1178(12)524(10(13)14)36(7(5)9)11(15)16h23H9H21H3
methyl2amino35dinitrobenzoate
MFCD00435232
ZINC000004042469
ZINC04042469
ZINC4042469

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Available files

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