Vitas-M small molecule compound

methyl 2-[(cyclohexylcarbamoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK447392
SMILES COC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CCC(C2)C(CC)(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 C22H34N2O3S MW 406.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O3S/c1-5-22(2,3)14-11-12-16-17(13-14)28-19(18(16)20(25)27-4)24-21(26)23-15-9-7-6-8-10-15/h14-15H,5-13H2,1-4H3,(H2,23,24,26)
InChIKey
NJJSZERCNRJVGR-UHFFFAOYSA-N
Synonyms
540532-38-5
540532385
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3
InChI=1SC22H34N2O3Sc1522(23)1411121617(1314)2819(18(16)20(25)274)2421(26)231597681015h1415H513H214H3(H2232426)
methyl2((cyclohexylcarbamoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(cyclohexylcarbamoylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01919550
ZINC000002743032
ZINC000002743033

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Available files

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