Vitas-M small molecule compound
(3Z,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one
Catalog ID
STK693246
SMILES COc1c(/C=C/2\CN(C)C/C(=C/c3cc(OC)c4c(c3OC)OCO4)/C2=O)cc(c2c1OCO2)OC
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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 C26H27NO9 MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO9/c1-27-10-16(6-14-8-18(29-2)23-25(21(14)31-4)35-12-33-23)20(28)17(11-27)7-15-9-19(30-3)24-26(22(15)32-5)36-13-34-24/h6-9H,10-13H2,1-5H3/b16-6-,17-7+InChIKey
NYDQECGSPKKQTK-JTSIYALXSA-NSynonyms
(3Z5E)35bis((47dimethoxy13benzodioxol5yl)methylidene)1methylpiperidin4one
CN1CC(=CC2=CC(=C3C(=C2OC)OCO3)OC)C(=O)C(=CC4=CC(=C5C(=C4OC)OCO5)OC)C1
COc1c(C=C2CN(C)CC(=Cc3cc(OC)c4c(c3OC)OCO4)C2=O)cc(c2c1OCO2)OC
InChI=1SC26H27NO9c1271016(614818(292)2325(21(14)314)35123323)20(28)17(1127)715919(303)2426(22(15)325)36133424h69H1013H215H3b166177+
MFCD10039342
ZINC000015106089
ZINC15106089
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