Vitas-M small molecule compound
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL401733
SMILES Sc1nnc(n1c1cnn(c1)Cc1ccccc1)C1CCCN(C1)S(=O)(=O)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 C18H22N6O2S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O2S2/c1-28(25,26)23-9-5-8-15(12-23)17-20-21-18(27)24(17)16-10-19-22(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,21,27)InChIKey
NULKUNUGFCVDKC-UHFFFAOYSA-NSynonyms
1005623-10-81005623108
4(1benzyl1Hpyrazol4yl)5(1(methylsulfonyl)piperidin3yl)4H124triazole3thiol
4(1benzylpyrazol4yl)3(1methylsulfonylpiperidin3yl)1H124triazole5thione
CS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4
InChI=1SC18H22N6O2S2c128(2526)2395815(1223)17202118(27)24(17)16101922(1316)11146324714h2467101315H5891112H21H3(H2127)
MFCD04137646
ZINC000002809141
ZINC000002809142
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