Vitas-M small molecule compound
2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4(1H)-one
Catalog ID
STL313735
SMILES O=c1cc(CN2CCCCC2)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 C21H34N4O4S MW 438.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N4O4S/c1-22-18(14-23-6-3-2-4-7-23)13-20(26)21(27)19(22)15-24-8-10-25(11-9-24)17-5-12-30(28,29)16-17/h13,17,27H,2-12,14-16H2,1H3InChIKey
FBQGEAAVZBOBMX-UHFFFAOYSA-NSynonyms
1401578-97-91401578979
2((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)3hydroxy1methyl6(piperidin1ylmethyl)pyridin4(1H)one
2((4(11dioxothiolan3yl)piperazin1yl)methyl)3hydroxy1methyl6(piperidin1ylmethyl)pyridin4one
CN1C(=CC(=O)C(=C1CN2CCN(CC2)C3CCS(=O)(=O)C3)O)CN4CCCCC4
InChI=1SC21H34N4O4Sc12218(14236324723)1320(26)21(27)19(22)152481025(11924)1751230(2829)1617h131727H2121416H21H3
MFCD22583545
ZINC000079482874
ZINC000079482879
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