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(E)-{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL039138
SMILES COc1cc(ccc1O)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCC(C)C)/[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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-19(2)18-39-22-7-8-23(20(3)16-22)28(34)26-27(21-6-9-24(33)25(17-21)37-4)32(30(36)29(26)35)11-5-10-31-12-14-38-15-13-31/h6-9,16-17,19,27,33-34H,5,10-15,18H2,1-4H3/b28-26+
InChIKey
HTJYECOWUBYCDO-BYCLXTJYSA-N
Synonyms
488724-23-8
(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488724238
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)O)OC)(O)
COc1cc(ccc1O)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC30H38N2O7c119(2)1839227823(20(3)1622)28(34)2627(216924(33)25(1721)374)32(30(36)29(26)35)1151031121438151331h69161719273334H5101518H214H3b2826+
MFCD18247777
ZINC000102862099
ZINC000102862104

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Available files

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