Vitas-M small molecule compound
4-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(ethylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK311058
SMILES CCS(=O)(=O)N1CCCC(C1)c1nnc(n1c1ccn(n1)Cc1c(F)cccc1Cl)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 C19H22ClFN6O2S2 MW 485.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClFN6O2S2/c1-2-31(28,29)26-9-4-5-13(11-26)18-22-23-19(30)27(18)17-8-10-25(24-17)12-14-15(20)6-3-7-16(14)21/h3,6-8,10,13H,2,4-5,9,11-12H2,1H3,(H,23,30)InChIKey
WGCZOBHDQYPHOK-UHFFFAOYSA-NSynonyms
1005647-78-81005647788
4(1((2chloro6fluorophenyl)methyl)pyrazol3yl)3(1ethylsulfonylpiperidin3yl)1H124triazole5thione
4(1(2chloro6fluorobenzyl)1Hpyrazol3yl)5(1(ethylsulfonyl)piperidin3yl)4H124triazole3thiol
CCS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2C3=NN(C=C3)CC4=C(C=CC=C4Cl)F
InChI=1SC19H22ClFN6O2S2c1231(2829)2694513(1126)18222319(30)27(18)1781025(2417)121415(20)63716(14)21h3681013H24591112H21H3(H2330)
MFCD04058996
ZINC000002808359
ZINC000002808360
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