Vitas-M small molecule compound

4-(2,5-dimethylphenyl)-5-({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306981
SMILES Cc1ccc(c(c1)n1c(CSc2nnc(n2CC2CCCO2)c2ccn(n2)C)nnc1S)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 C22H26N8OS2 MW 482.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N8OS2/c1-14-6-7-15(2)18(11-14)30-19(23-25-21(30)32)13-33-22-26-24-20(17-8-9-28(3)27-17)29(22)12-16-5-4-10-31-16/h6-9,11,16H,4-5,10,12-13H2,1-3H3,(H,25,32)
InChIKey
OBJNTIKWSWINSQ-UHFFFAOYSA-N
Synonyms
1005701-74-5
1005701745
4(25DIMETHYLPHENYL)3((5(1METHYLPYRAZOL3YL)4(OXOLAN2YLMETHYL)124TRIAZOL3YL)SULFANYLMETHYL)1H124TRIAZOLE5THIONE
4(25dimethylphenyl)5(((5(1methyl1Hpyrazol3yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)methyl)4H124triazole3thiol
CC1=CC(=C(C=C1)C)N2C(=NNC2=S)CSC3=NN=C(N3CC4CCCO4)C5=NN(C=C5)C
InChI=1SC22H26N8OS2c1146715(2)18(1114)3019(232521(30)32)133322262420(178928(3)2717)29(22)121654103116h691116H45101213H213H3(H2532)
MFCD04053647
ZINC000002792376
ZINC000002792377

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Available files

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