Vitas-M small molecule compound
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311026
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)Cn1nc(c(c1C)Br)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/c1-11-15(19)16(18(20,21)22)26-28(11)10-14-24-25-17(30)29(14)13-7-23-27(9-13)8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,25,30)InChIKey
PWFYPYBSTHWRAT-UHFFFAOYSA-NSynonyms
1005574-66-21005574662
4(1benzyl1Hpyrazol4yl)5((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4H124triazole3thiol
4(1benzylpyrazol4yl)3((4bromo5methyl3(trifluoromethyl)pyrazol1yl)methyl)1H124triazole5thione
CC1=C(C(=NN1CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)C(F)(F)F)Br
InChI=1SC18H15BrF3N7Sc11115(19)16(18(2021)22)2628(11)1014242517(30)29(14)1372327(913)8125324612h279H810H21H3(H2530)
MFCD04058901
ZINC000002808269
ZINC02808269
ZINC2808269
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