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(E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL049466
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)Cc1ccc[nH+]c1)/[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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-3-14-36-21-10-7-19(8-11-21)26(32)24-25(20-9-12-22(31)23(15-20)35-4-2)30(28(34)27(24)33)17-18-6-5-13-29-16-18/h3,5-13,15-16,25,31-32H,1,4,14,17H2,2H3/b26-24+
InChIKey
PDPJZAMFUIYYTQ-SHHOIMCASA-N
Synonyms
618082-89-6
(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
5(3ETHOXY4HYDROXYPHENYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
618082896
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)Cc1ccc(nH+)c1)(O)
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CC4=CN=CC=C4)O
InChI=1SC28H26N2O6c1314362110719(81121)26(32)2425(2091222(31)23(1520)3542)30(28(34)27(24)33)17186513291618h35131516253132H141417H22H3b2624+
MFCD18249267
ZINC000101287177
ZINC000101287181

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Available files

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