Vitas-M small molecule compound
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Catalog ID
STL405535
SMILES N#Cc1c(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 C20H22BrF3N4OS MW 503.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrF3N4OS/c1-10-16(21)17(20(22,23)24)27-28(10)9-15(29)26-18-13(8-25)12-6-5-11(19(2,3)4)7-14(12)30-18/h11H,5-7,9H2,1-4H3,(H,26,29)InChIKey
IBLBLGYRCZFBFN-UHFFFAOYSA-NSynonyms
357611-61-12(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)acetamide
2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)acetamide
357611611
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C(F)(F)F)Br
InChI=1SC20H22BrF3N4OSc11016(21)17(20(2223)24)2728(10)915(29)261813(825)126511(19(23)4)714(12)3018h11H579H214H3(H2629)
MFCD01450774
ZINC000002082138
ZINC000002082139
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