Vitas-M small molecule compound

1-(3,4-dimethoxyphenyl)-2-(3-hexadecyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol

Catalog ID
STK037471
SMILES CCCCCCCCCCCCCCCCn1c2ccccc2n(c1=N)CC(c1ccc(c(c1)OC)OC)O

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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 C33H51N3O3 MW 537.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H51N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-35-28-20-17-18-21-29(28)36(33(35)34)26-30(37)27-22-23-31(38-2)32(25-27)39-3/h17-18,20-23,25,30,34,37H,4-16,19,24,26H2,1-3H3/b34-33-
InChIKey
ZNUJGYAWVAHUHN-YHZPTAEISA-N
Synonyms

1(34dimethoxyphenyl)2(3hexadecyl2imino23dihydro1Hbenzimidazol1yl)ethanol
1(34dimethoxyphenyl)2(3hexadecyl2imino23dihydro1Hbenzo(d)imidazol1yl)ethanolhydrochloride
CCCCCCCCCCCCCCCCn1c2ccccc2n(c1=N)CC(c1ccc(c(c1)OC)OC)O
CCCCCCCCCCCCCCCCn1c2ccccc2n(c1=N)CC(c1ccc(c(c1)OC)OC)OCl
MFCD01854835
STK037471
ZINC000100699951
ZINC000100699956

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Available files

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