Vitas-M small molecule compound

2-{[(1-hexadecyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}-6-(prop-2-en-1-yl)phenolate

Catalog ID
STK561177
SMILES CCCCCCCCCCCCCCCCn1c(NCc2cccc(c2[O-])CC=C)[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 C33H49N3O MW 503.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-31-25-18-17-24-30(31)35-33(36)34-27-29-23-20-22-28(21-4-2)32(29)37/h4,17-18,20,22-25,37H,2-3,5-16,19,21,26-27H2,1H3,(H,34,35)
InChIKey
WPOVDRAKRJHIIH-UHFFFAOYSA-N
Synonyms
840463-01-6
2(((1hexadecyl1H31benzimidazol3ium2yl)amino)methyl)6(prop2en1yl)phenolate
840463016
CCCCCCCCCCCCCCCCn1c(NCc2cccc(c2(O))CC=C)(nH+)c2c1cccc2
MFCD04004635
ZINC000097952609

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Available files

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