Vitas-M small molecule compound

2,2-dimethyl-2H-benzimidazole 1,3-dioxide

Catalog ID
STK841072
SMILES CC1(C)[N+](=c2c(=[N+]1[O-])cccc2)[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 C9H10N2O2 MW 178.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10N2O2/c1-9(2)10(12)7-5-3-4-6-8(7)11(9)13/h3-6H,1-2H3
InChIKey
XQYKDQBVUBUIOU-UHFFFAOYSA-N
Synonyms
31980-12-8
22DIMETHYL2H13BENZIMIDAZOLEDIIUM13DIOLATE
22dimethyl2Hbenzimidazole13dioxide
22dimethyl2Hbenzo(d)imidazole13dioxide
22DIMETHYL3OXIDOBENZIMIDAZOL1IUM1OXIDE
31980128
CC1(N(C2=CC=CC=C2(N+)1=O)(O))C
InChI=1SC9H10N2O2c19(2)10(12)753468(7)11(9)13h36H12H3
MFCD00173609
ZINC000032220870
ZINC19320550

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Available files

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