Vitas-M small molecule compound

4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-benzimidazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

Catalog ID
STK738621
SMILES CSc1cccc(c1)N1CC(CC1=O)c1nc2c(n1CCOc1ccccc1OC)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-32-24-12-5-6-13-25(24)33-15-14-29-23-11-4-3-10-22(23)28-27(29)19-16-26(31)30(18-19)20-8-7-9-21(17-20)34-2/h3-13,17,19H,14-16,18H2,1-2H3
InChIKey
KUXUSTVPYXEBBA-UHFFFAOYSA-N
Synonyms
847397-82-4
4(1(2(2methoxyphenoxy)ethyl)1Hbenzimidazol2yl)1(3(methylsulfanyl)phenyl)pyrrolidin2one
4(1(2(2METHOXYPHENOXY)ETHYL)1HBENZO(D)IMIDAZOL2YL)1(3(METHYLTHIO)PHENYL)PYRROLIDIN2ONE
4(1(2(2METHOXYPHENOXY)ETHYL)BENZIMIDAZOL2YL)1(3METHYLSULFANYLPHENYL)PYRROLIDIN2ONE
847397824
COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC(=CC=C5)SC
InChI=1SC27H27N3O3Sc1322412561325(24)331514292311431022(23)2827(29)191626(31)30(1819)2087921(1720)342h3131719H141618H212H3
MFCD05713505
ZINC000008758231
ZINC000008758234

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Available files

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