Vitas-M small molecule compound

2-(3-methyl-3-nitrobutyl)-1H-benzimidazole

Catalog ID
STK367293
SMILES [O-][N+](=O)C(CCc1nc2c([nH]1)cccc2)(C)C

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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 C12H15N3O2 MW 233.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2/c1-12(2,15(16)17)8-7-11-13-9-5-3-4-6-10(9)14-11/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKey
PHHAUWYOHRAQGT-UHFFFAOYSA-N
Synonyms
27112-76-1
(O)(N+)(=O)C(CCc1nc2c((nH)1)cccc2)(C)C
2(3methyl3nitrobutyl)1Hbenzimidazole
2(3methyl3nitrobutyl)1Hbenzo(d)imidazole
27112761
CC(C)(CCC1=NC2=CC=CC=C2N1)(N+)(=O)(O)
InChI=1SC12H15N3O2c112(215(16)17)8711139534610(9)1411h36H78H212H3(H1314)
MFCD00445804
ZINC000000547473
ZINC00547473
ZINC547473

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Available files

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