Vitas-M small molecule compound

N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide

Catalog ID
STK248380
SMILES N#Cc1c(NC(=S)NC(=O)c2ccccc2C)sc2c1CCC(C2)C(C)(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 C22H25N3OS2 MW 411.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3OS2/c1-13-7-5-6-8-15(13)19(26)24-21(27)25-20-17(12-23)16-10-9-14(22(2,3)4)11-18(16)28-20/h5-8,14H,9-11H2,1-4H3,(H2,24,25,26,27)
InChIKey
OKBNCNMPNHWOPW-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N
InChI=1SC22H25N3OS2c113756815(13)19(26)2421(27)252017(1223)1610914(22(23)4)1118(16)2820h5814H911H214H3(H224252627)
MFCD03906702
N((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)2methylbenzamide
ZINC000006504652
ZINC000006504653

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Available files

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