Vitas-M small molecule compound
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL400807
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)Cn1nc(cc1C)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 C18H16F3N7S MW 419.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N7S/c1-12-7-15(18(19,20)21)25-27(12)11-16-23-24-17(29)28(16)14-8-22-26(10-14)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,24,29)InChIKey
XGRGBGSGTLGINX-UHFFFAOYSA-NSynonyms
1005670-85-81005670858
4(1benzyl1Hpyrazol4yl)5((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4H124triazole3thiol
4(1benzylpyrazol4yl)3((5methyl3(trifluoromethyl)pyrazol1yl)methyl)1H124triazole5thione
CC1=CC(=NN1CC2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)C(F)(F)F
InChI=1SC18H16F3N7Sc112715(18(1920)21)2527(12)1116232417(29)28(16)1482226(1014)9135324613h2810H911H21H3(H2429)
MFCD04059402
ZINC000002808734
ZINC02808734
ZINC2808734
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