Vitas-M small molecule compound
ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK411672
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCC(C2)C(C)(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 C23H27NO5S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5S/c1-5-27-22(26)19-15-8-7-14(23(2,3)4)11-18(15)30-21(19)24-20(25)13-6-9-16-17(10-13)29-12-28-16/h6,9-10,14H,5,7-8,11-12H2,1-4H3,(H,24,25)InChIKey
LUORGKDMJGWJMI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC4=C(C=C3)OCO4
ethyl2((13benzodioxol5ylcarbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(13benzodioxole5carbonylamino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H27NO5Sc152722(26)19158714(23(23)4)1118(15)3021(19)2420(25)13691617(1013)29122816h691014H5781112H214H3(H2425)
MFCD03362810
ZINC000002745172
ZINC000002745173
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