Vitas-M small molecule compound

ethyl 6-methyl-2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK898070
SMILES CCOC(=O)c1c(NC2OC(=O)c3c2cccc3)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 C20H21NO4S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4S/c1-3-24-20(23)16-14-9-8-11(2)10-15(14)26-18(16)21-17-12-6-4-5-7-13(12)19(22)25-17/h4-7,11,17,21H,3,8-10H2,1-2H3
InChIKey
SLEWNICQLQCODZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3C4=CC=CC=C4C(=O)O3
ethyl6methyl2((3oxo13dihydro2benzofuran1yl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((3oxo1H2benzofuran1yl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21NO4Sc132420(23)16149811(2)1015(14)2618(16)211712645713(12)19(22)2517h47111721H3810H212H3
MFCD18172822
ZINC000044827172
ZINC000044827182

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Available files

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