Vitas-M small molecule compound
4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL403084
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1C(Cn1nc(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/c1-13-4-6-16(7-5-13)11-29-12-17(9-25-29)31-19(26-27-20(31)32)14(2)10-30-15(3)8-18(28-30)21(22,23)24/h4-9,12,14H,10-11H2,1-3H3,(H,27,32)InChIKey
TXXPINKVWVZBSJ-UHFFFAOYSA-NSynonyms
1005554-47-11005554471
4(1((4methylphenyl)methyl)pyrazol4yl)3(1(5methyl3(trifluoromethyl)pyrazol1yl)propan2yl)1H124triazole5thione
4(1(4methylbenzyl)1Hpyrazol4yl)5(1(5methyl3(trifluoromethyl)1Hpyrazol1yl)propan2yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C(C)CN4C(=CC(=N4)C(F)(F)F)C
InChI=1SC21H22F3N7Sc1134616(7513)11291217(92529)3119(262720(31)32)14(2)103015(3)818(2830)21(2223)24h491214H1011H213H3(H2732)
MFCD04059401
ZINC000002808732
ZINC000002808733
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