Vitas-M small molecule compound
4-{1-[3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Catalog ID
STL450691
SMILES C=CCN1CC(CC1=O)c1nc2c(n1CC(COc1cc(C)c(c(c1)C)Cl)O)cccc2
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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 C25H28ClN3O3 MW 453.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O3/c1-4-9-28-13-18(12-23(28)31)25-27-21-7-5-6-8-22(21)29(25)14-19(30)15-32-20-10-16(2)24(26)17(3)11-20/h4-8,10-11,18-19,30H,1,9,12-15H2,2-3H3InChIKey
ZJRJKRKSOORHGY-UHFFFAOYSA-NSynonyms
4(1(3(4chloro35dimethylphenoxy)2hydroxypropyl)1Hbenzimidazol2yl)1(prop2en1yl)pyrrolidin2one
4(1(3(4chloro35dimethylphenoxy)2hydroxypropyl)benzimidazol2yl)1prop2enylpyrrolidin2one
CC1=CC(=CC(=C1Cl)C)OCC(CN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)CC=C)O
InChI=1SC25H28ClN3O3c149281318(1223(28)31)252721756822(21)29(25)1419(30)1532201016(2)24(26)17(3)1120h481011181930H191215H223H3
MFCD30713022
ZINC000334163370
ZINC000334163374
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