Vitas-M small molecule compound
(E)-{2-(3-ethoxy-4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL045735
SMILES CCOc1cc(ccc1O)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C28H34N2O7 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O7/c1-4-37-23-17-19(6-9-22(23)31)25-24(26(32)21-8-7-20(35-3)16-18(21)2)27(33)28(34)30(25)11-5-10-29-12-14-36-15-13-29/h6-9,16-17,25,31-32H,4-5,10-15H2,1-3H3/b26-24+InChIKey
IFABLQCFUDOIQD-SHHOIMCASA-NSynonyms
384352-26-5(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3ethoxy4hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(3ETHOXY4HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
384352265
CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCCN4CCOCC4)O
CCOc1cc(ccc1O)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC28H34N2O7c1437231719(6922(23)31)2524(26(32)218720(353)1618(21)2)27(33)28(34)30(25)1151029121436151329h691617253132H451015H213H3b2624+
MFCD18248698
ZINC000009312907
ZINC000009312908
Check stock
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Check stock on Vitas-MAvailable files
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