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(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL043460
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+]1CCOCC1)/[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 C25H28N2O5S MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O5S/c1-2-14-32-19-8-6-18(7-9-19)23(28)21-22(20-5-3-17-33-20)27(25(30)24(21)29)11-4-10-26-12-15-31-16-13-26/h2-3,5-9,17,22,28H,1,4,10-16H2/b23-21+
InChIKey
AVYRGYKHPARGPA-XTQSDGFTSA-N
Synonyms
613220-04-5
(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
3HYDROXY1(3MORPHOLIN4YLPROPYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)5(2THIENYL)3PYRROLIN2ONE
613220045
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CS4)(O)
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H28N2O5Sc121432198618(7919)23(28)2122(2053173320)27(25(30)24(21)29)1141026121531161326h2359172228H141016H2b2321+
MFCD18248219
ZINC000101288213
ZINC000101288215

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Available files

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