Vitas-M small molecule compound
4-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(methylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK309829
SMILES Sc1nnc(n1c1ccn(n1)Cc1ccccc1F)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 C18H21FN6O2S2 MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21FN6O2S2/c1-29(26,27)24-9-4-6-14(12-24)17-20-21-18(28)25(17)16-8-10-23(22-16)11-13-5-2-3-7-15(13)19/h2-3,5,7-8,10,14H,4,6,9,11-12H2,1H3,(H,21,28)InChIKey
OEUMVBSJDQVZLY-UHFFFAOYSA-NSynonyms
1005586-04-81005586048
4(1((2fluorophenyl)methyl)pyrazol3yl)3(1methylsulfonylpiperidin3yl)1H124triazole5thione
4(1(2fluorobenzyl)1Hpyrazol3yl)5(1(methylsulfonyl)piperidin3yl)4H124triazole3thiol
CS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2C3=NN(C=C3)CC4=CC=CC=C4F
InChI=1SC18H21FN6O2S2c129(2627)2494614(1224)17202118(28)25(17)1681023(2216)1113523715(13)19h235781014H4691112H21H3(H2128)
MFCD04134043
ZINC000002803186
ZINC000002803187
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