Vitas-M small molecule compound
(E)-{2-(3-ethoxy-4-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL040155
SMILES CCOc1cc(ccc1O)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[O-]
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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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-4-36-22-16-18(5-7-20(22)30)24-23(25(31)19-6-8-21(34-3)17(2)15-19)26(32)27(33)29(24)10-9-28-11-13-35-14-12-28/h5-8,15-16,24,30-31H,4,9-14H2,1-3H3/b25-23+InChIKey
SLYMWYZPSVYQIA-WJTDDFOZSA-NSynonyms
(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4hydroxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(3ETHOXY4HYDROXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4)O
CCOc1cc(ccc1O)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC)(O)
InChI=1SC27H32N2O7c1436221618(5720(22)30)2423(25(31)196821(343)17(2)1519)26(32)27(33)29(24)10928111335141228h581516243031H4914H213H3b2523+
MFCD18247962
ZINC000009312888
ZINC000009312889
Check stock
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Check stock on Vitas-MAvailable files
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