Vitas-M small molecule compound

N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-fluorobenzamide

Catalog ID
STK415446
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1ccccc1F)(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 C21H23FN2OS MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN2OS/c1-4-21(2,3)13-9-10-14-16(12-23)20(26-18(14)11-13)24-19(25)15-7-5-6-8-17(15)22/h5-8,13H,4,9-11H2,1-3H3,(H,24,25)
InChIKey
LOVGPIBSHZSJSA-UHFFFAOYSA-N
Synonyms

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3F
InChI=1SC21H23FN2OSc1421(23)139101416(1223)20(2618(14)1113)2419(25)15756817(15)22h5813H4911H213H3(H2425)
MFCD01350316
N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)2fluorobenzamide
ZINC000002738357
ZINC000002738358

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Available files

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