Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Catalog ID
STK129942
SMILES COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1sc2c(c1C#N)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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-27-15-8-6-14(7-9-15)24-12-13(10-19(24)25)20(26)23-21-17(11-22)16-4-2-3-5-18(16)28-21/h6-9,13H,2-5,10,12H2,1H3,(H,23,26)
InChIKey
DFPGSFXCVWEFHM-UHFFFAOYSA-N
Synonyms
COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C#N
N(3cyano4567tetrahydro1benzothiophen2yl)1(4methoxyphenyl)5oxopyrrolidine3carboxamide
Registry IDs
MFCD04213031
ZINC000001111419
ZINC000001111420

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Available files

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