Vitas-M small molecule compound
4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL394013
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1c1nn(c(c1)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 C18H16F3N7S MW 419.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N7S/c1-11-3-5-12(6-4-11)9-27-10-13(8-22-27)28-16(23-24-17(28)29)14-7-15(18(19,20)21)26(2)25-14/h3-8,10H,9H2,1-2H3,(H,24,29)InChIKey
ZIJUWZJVZFZUJG-UHFFFAOYSA-NSynonyms
1005605-36-61005605366
4(1((4methylphenyl)methyl)pyrazol4yl)3(1methyl5(trifluoromethyl)pyrazol3yl)1H124triazole5thione
4(1(4METHYLBENZYL)1HPYRAZOL4YL)5(1METHYL5(TRIFLUOROMETHYL)1HPYRAZOL3YL)4H124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4=NN(C(=C4)C(F)(F)F)C
InChI=1SC18H16F3N7Sc1113512(6411)9271013(82227)2816(232417(28)29)14715(18(1920)21)26(2)2514h3810H9H212H3(H2429)
MFCD04058979
ZINC000002808352
ZINC02808352
ZINC2808352
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