Vitas-M small molecule compound

(4E,7E)-N,N'-dihydroxy-2,2-dimethyl-5,6-dihydro-2H-benzimidazole-4,7-diimine 1,3-dioxide

Catalog ID
STK834493
SMILES O/N=C/1\CC/C(=N\O)/C2=[N+](C([N+](=C12)[O-])(C)C)[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 C9H12N4O4 MW 240.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4O4/c1-9(2)12(16)7-5(10-14)3-4-6(11-15)8(7)13(9)17/h14-15H,3-4H2,1-2H3/b10-5+,11-6+
InChIKey
LORPLNUNBIKYJO-YOYBCKCWSA-N
Synonyms

(4E7E)47bis(hydroxyimino)22dimethyl4567tetrahydro2Hbenzo(d)imidazole13dioxide
(4E7E)NNdihydroxy22dimethyl56dihydro2Hbenzimidazole47diimine13dioxide
MFCD01089456
ON=C1CCC(=NO)C2=(N+)(C((N+)(=C12)(O))(C)C)(O)
ZINC000334157254

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Available files

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