Vitas-M small molecule compound
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL399114
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)C(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 C19H20BrN7S MW 458.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN7S/c1-12-17(20)13(2)27(24-12)14(3)18-22-23-19(28)26(18)16-9-21-25(11-16)10-15-7-5-4-6-8-15/h4-9,11,14H,10H2,1-3H3,(H,23,28)InChIKey
PWNRJXFUOXHGEK-UHFFFAOYSA-NSynonyms
1005670-42-71005670427
4(1BENZYL1HPYRAZOL4YL)5(1(4BROMO35DIMETHYL1HPYRAZOL1YL)ETHYL)4H124TRIAZOLE3THIOL
4(1benzylpyrazol4yl)3(1(4bromo35dimethylpyrazol1yl)ethyl)1H124triazole5thione
CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)C)Br
InChI=1SC19H20BrN7Sc11217(20)13(2)27(2412)14(3)18222319(28)26(18)1692125(1116)10157546815h491114H10H213H3(H2328)
MFCD04137828
ZINC000002809318
ZINC000002809319
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