Vitas-M small molecule compound

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

Catalog ID
STK243924
SMILES N#Cc1c(NC(=S)NC(=O)c2ccccc2)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 C21H23N3OS2 MW 397.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3OS2/c1-21(2,3)14-9-10-15-16(12-22)19(27-17(15)11-14)24-20(26)23-18(25)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H2,23,24,25,26)
InChIKey
CIHFRZYYAQTTOF-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3
InChI=1SC21H23N3OS2c121(23)149101516(1222)19(2717(15)1114)2420(26)2318(25)137546813h4814H911H213H3(H223242526)
MFCD01996067
N((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)benzamide
ZINC000005632470
ZINC000005632482

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Available files

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