Vitas-M small molecule compound
ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK426904
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-3-24-20(23)17-13-6-4-11(2)8-16(13)27-19(17)21-18(22)12-5-7-14-15(9-12)26-10-25-14/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,21,22)InChIKey
STCAOWJZRKINSX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)OCO4
ethyl2((13benzodioxol5ylcarbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(13benzodioxole5carbonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21NO5Sc132420(23)17136411(2)816(13)2719(17)2118(22)12571415(912)26102514h57911H346810H212H3(H2122)
MFCD01244244
ZINC000000687036
ZINC000000687037
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