Vitas-M small molecule compound

4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-[1-(methylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STL398694
SMILES Cc1ccc(cc1)Cn1nc(c(c1C)n1c(S)nnc1C1CCCN(C1)S(=O)(=O)C)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 C21H28N6O2S2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O2S2/c1-14-7-9-17(10-8-14)12-26-16(3)19(15(2)24-26)27-20(22-23-21(27)30)18-6-5-11-25(13-18)31(4,28)29/h7-10,18H,5-6,11-13H2,1-4H3,(H,23,30)
InChIKey
YFUPDKISBXSJDB-UHFFFAOYSA-N
Synonyms
1005669-30-6
1005669306
4(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3(1methylsulfonylpiperidin3yl)1H124triazole5thione
4(35DIMETHYL1(4METHYLBENZYL)1HPYRAZOL4YL)5(1(METHYLSULFONYL)PIPERIDIN3YL)4H124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)N3C(=NNC3=S)C4CCCN(C4)S(=O)(=O)C)C
InChI=1SC21H28N6O2S2c1147917(10814)122616(3)19(15(2)2426)2720(222321(27)30)18651125(1318)31(428)29h71018H561113H214H3(H2330)
MFCD04137635
ZINC000002809134
ZINC000002809135

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Available files

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