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(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl][2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL045397
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)Cc1ccc[nH+]c1)/[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 C27H27N3O6 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6/c1-5-36-27(34)22-15(2)20(16(3)29-22)24(31)21-23(18-8-10-19(35-4)11-9-18)30(26(33)25(21)32)14-17-7-6-12-28-13-17/h6-13,23,29,31H,5,14H2,1-4H3/b24-21+
InChIKey
BGMBDIQMCUIEFO-DARPEHSRSA-N
Synonyms
877796-03-7
(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(4methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
877796037
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)OC)O)C
ETHYL4((4HYDROXY2(4METHOXYPHENYL)5OXO1(3PYRIDYLMETHYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)HYDROXY(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)HYDROXY(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H27N3O6c153627(34)2215(2)20(16(3)2922)24(31)2123(1881019(354)11918)30(26(33)25(21)32)14177612281317h613232931H514H214H3b2421+
MFCD18248629
ZINC000102878824
ZINC000102878826

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Available files

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