Vitas-M small molecule compound
ethyl 6-tert-butyl-2-[(pyridin-4-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL168382
SMILES CCOC(=O)c1c(NC(=O)c2ccncc2)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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-5-26-20(25)17-15-7-6-14(21(2,3)4)12-16(15)27-19(17)23-18(24)13-8-10-22-11-9-13/h8-11,14H,5-7,12H2,1-4H3,(H,23,24)InChIKey
DXEXNLXWWMEKON-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=NC=C3
ethyl6tertbutyl2((pyridin4ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2(pyridine4carbonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H26N2O3Sc152620(25)17157614(21(23)4)1216(15)2719(17)2318(24)138102211913h81114H5712H214H3(H2324)
MFCD01350558
ZINC000000996099
ZINC000000996100
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