Vitas-M small molecule compound
5-{[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311180
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1Cn1nc(cc1C1CC1)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 C21H20F3N7S MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N7S/c1-13-2-4-14(5-3-13)10-29-11-16(9-25-29)31-19(26-27-20(31)32)12-30-17(15-6-7-15)8-18(28-30)21(22,23)24/h2-5,8-9,11,15H,6-7,10,12H2,1H3,(H,27,32)InChIKey
ZRPRCIAMESBMQQ-UHFFFAOYSA-NSynonyms
1005620-47-21005620472
3((5cyclopropyl3(trifluoromethyl)pyrazol1yl)methyl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5((5cyclopropyl3(trifluoromethyl)1Hpyrazol1yl)methyl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)CN4C(=CC(=N4)C(F)(F)F)C5CC5
InChI=1SC21H20F3N7Sc1132414(5313)10291116(92529)3119(262720(31)32)123017(156715)818(2830)21(2223)24h25891115H671012H21H3(H2732)
MFCD04059326
ZINC000002808653
ZINC02808653
ZINC2808653
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