Vitas-M small molecule compound

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

Catalog ID
STK563894
SMILES CCCCCn1c(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 C19H22BrN3O MW 388.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN3O/c1-2-3-6-11-23-17-8-5-4-7-16(17)22-19(23)21-13-14-12-15(20)9-10-18(14)24/h4-5,7-10,12,24H,2-3,6,11,13H2,1H3,(H,21,22)
InChIKey
RWTUILROGKDFQL-UHFFFAOYSA-N
Synonyms
383899-96-5
4bromo2(((1pentyl1H31benzimidazol3ium2yl)amino)methyl)phenolate
CCCCCn1c(NCc2cc(Br)ccc2(O))(nH+)c2c1cccc2
MFCD03283824
ZINC000001813728

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Available files

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