Vitas-M small molecule compound
5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL402134
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1C(n1nc(c(c1C)Br)C)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 C20H22BrN7S MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN7S/c1-12-5-7-16(8-6-12)10-26-11-17(9-22-26)27-19(23-24-20(27)29)15(4)28-14(3)18(21)13(2)25-28/h5-9,11,15H,10H2,1-4H3,(H,24,29)InChIKey
SZEUHSJOJDRIPQ-UHFFFAOYSA-NSynonyms
1005576-80-61005576806
3(1(4bromo35dimethylpyrazol1yl)ethyl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5(1(4bromo35dimethyl1Hpyrazol1yl)ethyl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C(C)N4C(=C(C(=N4)C)Br)C
InChI=1SC20H22BrN7Sc1125716(8612)10261117(92226)2719(232420(27)29)15(4)2814(3)18(21)13(2)2528h591115H10H214H3(H2429)
MFCD04138120
ZINC000002809604
ZINC000002809605
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