Vitas-M small molecule compound

4-{1-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(2-methylphenyl)pyrrolidin-2-one

Catalog ID
STK824993
SMILES OC(Cn1c(nc2c1cccc2)C1CC(=O)N(C1)c1ccccc1C)COc1ccc(c(c1)C)C

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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 C29H31N3O3 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3/c1-19-12-13-24(14-21(19)3)35-18-23(33)17-32-27-11-7-5-9-25(27)30-29(32)22-15-28(34)31(16-22)26-10-6-4-8-20(26)2/h4-14,22-23,33H,15-18H2,1-3H3
InChIKey
TYRKYXRSFVKFRB-UHFFFAOYSA-N
Synonyms
1018163-01-3
1018163013
4(1(3(34dimethylphenoxy)2hydroxypropyl)1Hbenzimidazol2yl)1(2methylphenyl)pyrrolidin2one
4(1(3(34DIMETHYLPHENOXY)2HYDROXYPROPYL)1HBENZO(D)IMIDAZOL2YL)1(OTOLYL)PYRROLIDIN2ONE
4(1(3(34DIMETHYLPHENOXY)2HYDROXYPROPYL)BENZIMIDAZOL2YL)1(2METHYLPHENYL)PYRROLIDIN2ONE
CC1=C(C=C(C=C1)OCC(CN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC=CC=C5C)O)C
InChI=1SC29H31N3O3c119121324(1421(19)3)351823(33)1732271175925(27)3029(32)221528(34)31(1622)261064820(26)2h414222333H1518H213H3
MFCD12548265
ZINC000016903328
ZINC000016903335

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Available files

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