Vitas-M small molecule compound

5,7-dinitro-2,1,3-benzoxadiazole 1-oxide

Catalog ID
STL321132
SMILES [O-][N+](=O)c1cc(cc2c1[n+]([O-])on2)[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 C6H2N4O6 MW 226.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H2N4O6/c11-8(12)3-1-4-6(10(15)16-7-4)5(2-3)9(13)14/h1-2H
InChIKey
AXOSTNNBSAMGLA-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(cc2c1(n+)((O))on2)(N+)(=O)(O)
46DINITRO3OXIDO213BENZOXADIAZOL3IUM
46DINITROBENZOFURAZANE3OXIDE
57dinitro213benzoxadiazole1oxide
57dinitrobenzo(c)(125)oxadiazole1oxide
C1=C(C=C(C2=(N+)(ON=C21)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC6H2N4O6c118(12)3146(10(15)1674)5(23)9(13)14h12H
MFCD00454185
ZINC000004729070
ZINC04729070
ZINC4729070

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Available files

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