Vitas-M small molecule compound
4-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-[1-(methylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL403737
SMILES Clc1ccc(c(c1)Cl)Cn1ncc(c1)n1c(S)nnc1C1CCCN(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 C18H20Cl2N6O2S2 MW 487.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20Cl2N6O2S2/c1-30(27,28)25-6-2-3-13(10-25)17-22-23-18(29)26(17)15-8-21-24(11-15)9-12-4-5-14(19)7-16(12)20/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,23,29)InChIKey
JOYGUHGQUQPRNU-UHFFFAOYSA-NSynonyms
1005554-13-11005554131
4(1((24dichlorophenyl)methyl)pyrazol4yl)3(1methylsulfonylpiperidin3yl)1H124triazole5thione
4(1(24dichlorobenzyl)1Hpyrazol4yl)5(1(methylsulfonyl)piperidin3yl)4H124triazole3thiol
CS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2C3=CN(N=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC18H20Cl2N6O2S2c130(2728)2562313(1025)17222318(29)26(17)1582124(1115)9124514(19)716(12)20h45781113H236910H21H3(H2329)
MFCD04059321
ZINC000002808646
ZINC000002808647
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