Vitas-M small molecule compound
2-{[(1-butyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}-4,6-dichlorophenolate
Catalog ID
STK560593
SMILES CCCCn1c(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 C18H19Cl2N3O MW 364.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19Cl2N3O/c1-2-3-8-23-16-7-5-4-6-15(16)22-18(23)21-11-12-9-13(19)10-14(20)17(12)24/h4-7,9-10,24H,2-3,8,11H2,1H3,(H,21,22)InChIKey
OXCUCAZLULFDOV-UHFFFAOYSA-NSynonyms
384798-98-52(((1butyl1H31benzimidazol3ium2yl)amino)methyl)46dichlorophenolate
CCCCn1c(NCc2cc(Cl)cc(c2(O))Cl)(nH+)c2c1cccc2
MFCD03033747
ZINC000013551700
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