Vitas-M small molecule compound
ethyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK536855
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)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 C22H27BrF3N3O3S MW 550.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27BrF3N3O3S/c1-6-32-20(31)16-13-8-7-12(21(3,4)5)9-14(13)33-19(16)27-15(30)10-29-11(2)17(23)18(28-29)22(24,25)26/h12H,6-10H2,1-5H3,(H,27,30)InChIKey
JXKHNUZVTIYZMX-UHFFFAOYSA-NSynonyms
357611-57-5357611575
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C
ethyl2(((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetamido)6(tertbutyl)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC22H27BrF3N3O3Sc163220(31)16138712(21(34)5)914(13)3319(16)2715(30)102911(2)17(23)18(2829)22(2425)26h12H610H215H3(H2730)
MFCD01417424
ZINC000006599722
ZINC000006599724
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