Vitas-M small molecule compound
ethyl 2-({3-ethoxy-2-[(ethoxycarbonyl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4-methyl-5-phenylthiophene-3-carboxylate
Catalog ID
STK765549
SMILES CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc(c(c1C(=O)OCC)C)c1ccccc1
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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 C22H25F3N2O6S MW 502.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F3N2O6S/c1-5-31-18(28)15-13(4)16(14-11-9-8-10-12-14)34-17(15)26-21(22(23,24)25,19(29)32-6-2)27-20(30)33-7-3/h8-12,26H,5-7H2,1-4H3,(H,27,30)InChIKey
BFUBJHWOIQMWQM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC
ethyl2((3ethoxy2((ethoxycarbonyl)amino)111trifluoro3oxopropan2yl)amino)4methyl5phenylthiophene3carboxylate
ETHYL2((3ETHOXY2(ETHOXYCARBONYLAMINO)111TRIFLUORO3OXOPROPAN2YL)AMINO)4METHYL5PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H25F3N2O6Sc153118(28)1513(4)16(141198101214)3417(15)2621(22(2324)2519(29)3262)2720(30)3373h81226H57H214H3(H2730)
MFCD02933795
ZINC000008854911
ZINC000012413674
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