Vitas-M small molecule compound
4-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL390941
SMILES Cn1ncc(c1)c1nnc(n1c1c(C)nn(c1C)Cc1ccc(c(c1)Cl)Cl)S
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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 C18H17Cl2N7S MW 434.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2N7S/c1-10-16(27-17(22-23-18(27)28)13-7-21-25(3)9-13)11(2)26(24-10)8-12-4-5-14(19)15(20)6-12/h4-7,9H,8H2,1-3H3,(H,23,28)InChIKey
QDICQXADLOEEDI-UHFFFAOYSA-NSynonyms
1005560-47-31005560473
4(1((34dichlorophenyl)methyl)35dimethylpyrazol4yl)3(1methylpyrazol4yl)1H124triazole5thione
4(1(34dichlorobenzyl)35dimethyl1Hpyrazol4yl)5(1methyl1Hpyrazol4yl)4H124triazole3thiol
CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)N3C(=NNC3=S)C4=CN(N=C4)C
InChI=1SC18H17Cl2N7Sc11016(2717(222318(27)28)1372125(3)913)11(2)26(2410)8124514(19)15(20)612h479H8H213H3(H2328)
MFCD04140310
ZINC000002731114
ZINC02731114
ZINC2731114
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