Vitas-M small molecule compound
5-nitro-2-{1-[4-(propan-2-yl)phenoxy]ethyl}-1H-benzimidazole
Catalog ID
STL450643
SMILES CC(c1nc2c([nH]1)ccc(c2)[N+](=O)[O-])Oc1ccc(cc1)C(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 C18H19N3O3 MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3/c1-11(2)13-4-7-15(8-5-13)24-12(3)18-19-16-9-6-14(21(22)23)10-17(16)20-18/h4-12H,1-3H3,(H,19,20)InChIKey
XPQHLHQMJASBNO-UHFFFAOYSA-NSynonyms
5nitro2(1(4(propan2yl)phenoxy)ethyl)1Hbenzimidazole
6nitro2(1(4propan2ylphenoxy)ethyl)1Hbenzimidazole
CC(C)C1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
CC(c1nc2c((nH)1)ccc(c2)(N+)(=O)(O))Oc1ccc(cc1)C(C)C
InChI=1SC18H19N3O3c111(2)134715(8513)2412(3)1819169614(21(22)23)1017(16)2018h412H13H3(H1920)
MFCD30713008
ZINC000076555406
ZINC000076555408
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