Vitas-M small molecule compound
5-[(4-bromo-3-methyl-1H-pyrazol-1-yl)methyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL402455
SMILES Cc1ccc(cc1)Cn1ncc(c1)n1c(S)nnc1Cn1nc(c(c1)Br)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 C18H18BrN7S MW 444.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN7S/c1-12-3-5-14(6-4-12)8-24-9-15(7-20-24)26-17(21-22-18(26)27)11-25-10-16(19)13(2)23-25/h3-7,9-10H,8,11H2,1-2H3,(H,22,27)InChIKey
PDHUDIBTWSCCBZ-UHFFFAOYSA-NSynonyms
1005673-84-61005673846
3((4bromo3methylpyrazol1yl)methyl)4(1((4methylphenyl)methyl)pyrazol4yl)1H124triazole5thione
5((4bromo3methyl1Hpyrazol1yl)methyl)4(1(4methylbenzyl)1Hpyrazol4yl)4H124triazole3thiol
CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)CN4C=C(C(=N4)C)Br
InChI=1SC18H18BrN7Sc1123514(6412)824915(72024)2617(212218(26)27)11251016(19)13(2)2325h37910H811H212H3(H2227)
MFCD04137764
ZINC000002809254
ZINC2809254
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