Vitas-M small molecule compound

3-(3-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

Catalog ID
STK746782
SMILES [O-]c1on[n+](n1)c1cccc(c1)[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 C7H4N4O4 MW 208.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H4N4O4/c12-7-8-10(9-15-7)5-2-1-3-6(4-5)11(13)14/h1-4H
InChIKey
FQANKJJOZJUQAS-UHFFFAOYSA-N
Synonyms

(O)c1on(n+)(n1)c1cccc(c1)(N+)(=O)(O)
3(3nitrophenyl)1234oxatriazol3ium5olate
3(3NITROPHENYL)OXATRIAZOL3IUM5OLATE
C1=CC(=CC(=C1)(N+)(=O)(O))(N+)2=NOC(=N2)(O)
InChI=1SC7H4N4O4c127810(9157)52136(45)11(13)14h14H
MFCD00741826
ZINC000002489547
ZINC02489547

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Available files

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