Vitas-M small molecule compound

ethyl 2-[(furan-2-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK080425
SMILES CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC(C2)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 C17H19NO4S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4S/c1-3-21-17(20)14-11-7-6-10(2)9-13(11)23-16(14)18-15(19)12-5-4-8-22-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKey
MLKCCRLVVPXZAN-UHFFFAOYSA-N
Synonyms
312949-31-8
312949318
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CO3
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC(C2)C
ethyl2((furan2ylcarbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(furan2carbonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H19NO4Sc132117(20)14117610(2)913(11)2316(14)1815(19)125482212h45810H3679H212H3(H1819)
MFCD00394433
STK080425
ZINC000000027786
ZINC000000027787

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Available files

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