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(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate

Catalog ID
STK566226
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[NH+]1CCOCC1)/[O-])C

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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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-4-36-27(34)22-17(2)20(18(3)28-22)24(31)21-23(19-9-6-5-7-10-19)30(26(33)25(21)32)12-8-11-29-13-15-35-16-14-29/h5-7,9-10,23,28,31H,4,8,11-16H2,1-3H3/b24-21+
InChIKey
CIOQVMCBWIUWND-DARPEHSRSA-N
Synonyms
844822-34-0
(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(1(3(morpholin4ium4yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
844822340
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)1CCOCC1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CC=C4)(O))C
ETHYL4((4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO2PHENYL(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H33N3O6c143627(34)2217(2)20(18(3)2822)24(31)2123(1996571019)30(26(33)25(21)32)1281129131535161429h57910232831H481116H213H3b2421+
MFCD18244978
ZINC000102540494
ZINC000102540504

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Available files

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