Vitas-M small molecule compound

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

Catalog ID
STL149924
SMILES CCCCCCn1c(NCc2cc(Cl)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 C20H24ClN3O MW 357.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN3O/c1-2-3-4-7-12-24-18-9-6-5-8-17(18)23-20(24)22-14-15-13-16(21)10-11-19(15)25/h5-6,8-11,13,25H,2-4,7,12,14H2,1H3,(H,22,23)
InChIKey
IBYFXTJEDKIZSJ-UHFFFAOYSA-N
Synonyms
385418-00-8
385418008
4chloro2(((1hexyl1H31benzimidazol3ium2yl)amino)methyl)phenolate
CCCCCCn1c(NCc2cc(Cl)ccc2(O))(nH+)c2c1cccc2
MFCD03286020

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Available files

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