Vitas-M small molecule compound
4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311766
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1c1cc(nn1C)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 C20H20F3N7S MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N7S/c1-11-5-7-14(8-6-11)10-29-13(3)17(12(2)26-29)30-18(24-25-19(30)31)15-9-16(20(21,22)23)27-28(15)4/h5-9H,10H2,1-4H3,(H,25,31)InChIKey
YJCQKOZVNOFMEJ-UHFFFAOYSA-NSynonyms
1005611-17-51005611175
4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3(2methyl5(trifluoromethyl)pyrazol3yl)1H124triazole5thione
4(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)5(1methyl3(trifluoromethyl)1Hpyrazol5yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)C4=CC(=NN4C)C(F)(F)F)C
InChI=1SC20H20F3N7Sc1115714(8611)102913(3)17(12(2)2629)3018(242519(30)31)15916(20(2122)23)2728(15)4h59H10H214H3(H2531)
MFCD04139971
ZINC000002730746
ZINC02730746
ZINC2730746
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