Vitas-M small molecule compound

5-[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK311398
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1c1n(C)nc(c1Br)C(F)(F)F

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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 C18H15BrF3N7S MW 498.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrF3N7S/c1-10-3-5-11(6-4-10)8-28-9-12(7-23-28)29-16(24-25-17(29)30)14-13(19)15(18(20,21)22)26-27(14)2/h3-7,9H,8H2,1-2H3,(H,25,30)
InChIKey
DIWISQQZSUWIMC-UHFFFAOYSA-N
Synonyms
1005556-03-5
1005556035
3(4bromo2methyl5(trifluoromethyl)pyrazol3yl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(4bromo1methyl3(trifluoromethyl)1Hpyrazol5yl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=C(C(=NN4C)C(F)(F)F)Br
InChI=1SC18H15BrF3N7Sc1103511(6410)828912(72328)2916(242517(29)30)1413(19)15(18(2021)22)2627(14)2h379H8H212H3(H2530)
MFCD04137771
ZINC000002809260
ZINC02809260
ZINC2809260

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Available files

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