Vitas-M small molecule compound

2,4-dichloro-6-{[(1-pentyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate

Catalog ID
STL040195
SMILES CCCCCn1c(NCc2cc(Cl)cc(c2[O-])Cl)[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 C19H21Cl2N3O MW 378.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21Cl2N3O/c1-2-3-6-9-24-17-8-5-4-7-16(17)23-19(24)22-12-13-10-14(20)11-15(21)18(13)25/h4-5,7-8,10-11,25H,2-3,6,9,12H2,1H3,(H,22,23)
InChIKey
GYWRQLJSOGRDGJ-UHFFFAOYSA-N
Synonyms
488092-92-8
24dichloro6(((1pentyl1H31benzimidazol3ium2yl)amino)methyl)phenolate
488092928
CCCCCn1c(NCc2cc(Cl)cc(c2(O))Cl)(nH+)c2c1cccc2
MFCD03288000

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Available files

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