Vitas-M small molecule compound
4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311825
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1Cn1nc(cc1C)C(F)(F)F)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 C21H22F3N7S MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N7S/c1-12-5-7-16(8-6-12)10-30-15(4)19(14(3)27-30)31-18(25-26-20(31)32)11-29-13(2)9-17(28-29)21(22,23)24/h5-9H,10-11H2,1-4H3,(H,26,32)InChIKey
GWGGFBOEOSSZJV-UHFFFAOYSA-NSynonyms
1005645-30-61005645306
4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3((5methyl3(trifluoromethyl)pyrazol1yl)methyl)1H124triazole5thione
4(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)5((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)CN4C(=CC(=N4)C(F)(F)F)C)C
InChI=1SC21H22F3N7Sc1125716(8612)103015(4)19(14(3)2730)3118(252620(31)32)112913(2)917(2829)21(2223)24h59H1011H214H3(H2632)
MFCD04140134
ZINC000002730923
ZINC02730923
ZINC2730923
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