Vitas-M small molecule compound

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

Catalog ID
STK564408
SMILES CCn1c(NCc2cc(Br)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 C16H16BrN3O MW 346.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-9,21H,2,10H2,1H3,(H,18,19)
InChIKey
GUVFPFMXZFAHAM-UHFFFAOYSA-N
Synonyms
364748-24-3
4bromo2(((1ethyl1H31benzimidazol3ium2yl)amino)methyl)phenolate
CCn1c(NCc2cc(Br)ccc2(O))(nH+)c2c1cccc2
MFCD02921656
ZINC000000285493

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Available files

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