Vitas-M small molecule compound

2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}-4-methylphenolate

Catalog ID
STK560966
SMILES CCn1c(NCc2cc(C)ccc2[O-])[nH+]c2c1cccc2

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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 C17H19N3O MW 281.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O/c1-3-20-15-7-5-4-6-14(15)19-17(20)18-11-13-10-12(2)8-9-16(13)21/h4-10,21H,3,11H2,1-2H3,(H,18,19)
InChIKey
APJLAFFWPYZDSD-UHFFFAOYSA-N
Synonyms
384365-89-3
2(((1ethyl1H31benzimidazol3ium2yl)amino)methyl)4methylphenolate
CCn1c(NCc2cc(C)ccc2(O))(nH+)c2c1cccc2
MFCD02736000
ZINC000000285488

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Available files

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