Vitas-M small molecule compound

(5Z)-5-(hydroxyimino)-6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one 1-oxide

Catalog ID
STK371705
SMILES O/N=C\1/CCc2c(C1=O)no[n+]2[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 C6H5N3O4 MW 183.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5N3O4/c10-6-3(7-11)1-2-4-5(6)8-13-9(4)12/h11H,1-2H2/b7-3-
InChIKey
MAQISRHOCSWQOP-CLTKARDFSA-N
Synonyms
142328-12-9
(5Z)5(hydroxyimino)67dihydro213benzoxadiazol4(5H)one1oxide
(5Z)5HYDROXYIMINO1OXIDO67DIHYDRO213BENZOXADIAZOL1IUM4ONE
(Z)5(hydroxyimino)4oxo4567tetrahydrobenzo(c)(125)oxadiazole1oxide
142328129
1OXY67DIHYDROBENZO(125)OXADIAZOLE45DIONE5OXIME
C1CC2=(N+)(ON=C2C(=O)C1=NO)(O)
InChI=1SC6H5N3O4c1063(711)1245(6)8139(4)12h11H12H2b73
MFCD00168530
ON=C1CCc2c(C1=O)no(n+)2(O)
ZINC000100506837
ZINC4458673

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Available files

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