Vitas-M small molecule compound
ethyl 6-tert-butyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL404815
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)C(F)(F)F)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 C22H28F3N3O3S MW 471.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28F3N3O3S/c1-6-31-20(30)18-14-8-7-13(21(3,4)5)10-15(14)32-19(18)26-17(29)11-28-12(2)9-16(27-28)22(23,24)25/h9,13H,6-8,10-11H2,1-5H3,(H,26,29)InChIKey
ARYLZUCNAYNXCA-UHFFFAOYSA-NSynonyms
357611-70-2357611702
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C
ethyl6tertbutyl2(((5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H28F3N3O3Sc163120(30)18148713(21(34)5)1015(14)3219(18)2617(29)112812(2)916(2728)22(2324)25h913H681011H215H3(H2629)
MFCD01243866
ZINC000000845156
ZINC000000845157
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