Vitas-M small molecule compound
methyl 2-({[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK763364
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)OCC(F)(F)F
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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 C18H20F6N2O6S MW 506.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F6N2O6S/c1-3-31-14(28)17(18(22,23)24,32-8-16(19,20)21)26-15(29)25-12-11(13(27)30-2)9-6-4-5-7-10(9)33-12/h3-8H2,1-2H3,(H2,25,26,29)InChIKey
DUJQTYVYAVDNSX-UHFFFAOYSA-NSynonyms
372508-63-9372508639
CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OCC(F)(F)F
InChI=1SC18H20F6N2O6Sc133114(28)17(18(2223)2432816(1920)21)2615(29)251211(13(27)302)9645710(9)3312h38H212H3(H2252629)
methyl2(((3ethoxy111trifluoro3oxo2(222trifluoroethoxy)propan2yl)carbamoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro3oxo2(222trifluoroethoxy)propan2yl)carbamoylamino)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(3ethoxy111trifluoro3oxo2(222trifluoroethoxy)propan2yl)ureido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01945529
ZINC000008856738
ZINC000012412215
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