Vitas-M small molecule compound
6-(azepan-1-ylmethyl)-2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-3-hydroxy-1-methylpyridin-4(1H)-one
Catalog ID
STL318777
SMILES O=c1cc(CN2CCCCCC2)n(c(c1O)CN1CCN(CC1)C1CCS(=O)(=O)C1)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 C22H36N4O4S MW 452.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36N4O4S/c1-23-19(15-24-7-4-2-3-5-8-24)14-21(27)22(28)20(23)16-25-9-11-26(12-10-25)18-6-13-31(29,30)17-18/h14,18,28H,2-13,15-17H2,1H3InChIKey
LHWRXGKXYQPHLJ-UHFFFAOYSA-NSynonyms
1401560-18-61401560186
6(azepan1ylmethyl)2((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)3hydroxy1methylpyridin4(1H)one
6(azepan1ylmethyl)2((4(11dioxothiolan3yl)piperazin1yl)methyl)3hydroxy1methylpyridin4one
CN1C(=CC(=O)C(=C1CN2CCN(CC2)C3CCS(=O)(=O)C3)O)CN4CCCCCC4
InChI=1SC22H36N4O4Sc12319(152474235824)1421(27)22(28)20(23)162591126(121025)1861331(2930)1718h141828H2131517H21H3
MFCD22584864
ZINC000079489672
ZINC000079489681
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