Vitas-M small molecule compound
5-nitro-2-{[2-(propan-2-yl)phenoxy]methyl}-1H-benzimidazole
Catalog ID
STK914215
SMILES CC(c1ccccc1OCc1nc2c([nH]1)ccc(c2)[N+](=O)[O-])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 C17H17N3O3 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3/c1-11(2)13-5-3-4-6-16(13)23-10-17-18-14-8-7-12(20(21)22)9-15(14)19-17/h3-9,11H,10H2,1-2H3,(H,18,19)InChIKey
BJOQQYITSDWNGB-UHFFFAOYSA-NSynonyms
5nitro2((2(propan2yl)phenoxy)methyl)1Hbenzimidazole
6nitro2((2propan2ylphenoxy)methyl)1Hbenzimidazole
CC(C)C1=CC=CC=C1OCC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
CC(c1ccccc1OCc1nc2c((nH)1)ccc(c2)(N+)(=O)(O))C
InChI=1SC17H17N3O3c111(2)13534616(13)23101718148712(20(21)22)915(14)1917h3911H10H212H3(H1819)
MFCD18175481
ZINC000041146134
ZINC41146134
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