Vitas-M small molecule compound

2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STL405415
SMILES O=C(Cn1nc(c(c1C)Br)C(F)(F)F)Nc1sc2c(c1C(=O)N)CCC(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 C20H24BrF3N4O2S MW 521.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrF3N4O2S/c1-9-15(21)16(20(22,23)24)27-28(9)8-13(29)26-18-14(17(25)30)11-6-5-10(19(2,3)4)7-12(11)31-18/h10H,5-8H2,1-4H3,(H2,25,30)(H,26,29)
InChIKey
OJZPFBJDANNLTI-UHFFFAOYSA-N
Synonyms
357611-58-6
2(((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
2((2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
357611586
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N)C(F)(F)F)Br
InChI=1SC20H24BrF3N4O2Sc1915(21)16(20(2223)24)2728(9)813(29)261814(17(25)30)116510(19(23)4)712(11)3118h10H58H214H3(H22530)(H2629)
MFCD01451927
ZINC000000845146
ZINC000000845147

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Available files

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