Vitas-M small molecule compound

2,4,6-trinitrobenzamide

Catalog ID
STK675860
SMILES [O-][N+](=O)c1cc(cc(c1C(=O)N)[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 C7H4N4O7 MW 256.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4N4O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H,(H2,8,12)
InChIKey
ODEUNEYDKZLGSY-UHFFFAOYSA-N
Synonyms
51226-42-7
(O)(N+)(=O)c1cc(cc(c1C(=O)N)(N+)(=O)(O))(N+)(=O)(O)
246trinitrobenzamide
51226427
C1=C(C=C(C(=C1(N+)(=O)(O))C(=O)N)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC7H4N4O7c87(12)64(10(15)16)13(9(13)14)25(6)11(17)18h12H(H2812)
MFCD00434726
ZINC000100006785
ZINC100006785

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Available files

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