Vitas-M small molecule compound
methyl 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
STL405562
SMILES COC(=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 C21H26F3N3O3S MW 457.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26F3N3O3S/c1-11-8-15(21(22,23)24)26-27(11)10-16(28)25-18-17(19(29)30-5)13-7-6-12(20(2,3)4)9-14(13)31-18/h8,12H,6-7,9-10H2,1-5H3,(H,25,28)InChIKey
WADUUZFXMKVQDM-UHFFFAOYSA-NSynonyms
357611-68-8357611688
CC1=CC(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C(F)(F)F
InChI=1SC21H26F3N3O3Sc111815(21(2223)24)2627(11)1016(28)251817(19(29)305)137612(20(23)4)914(13)3118h812H67910H215H3(H2528)
methyl6tertbutyl2(((5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01450564
ZINC000000845152
ZINC000000845153
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