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

Catalog ID
STL039656
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)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 C30H33N3O5 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O5/c1-7-38-29(37)24-17(2)22(18(3)32-24)26(34)23-25(20-10-12-21(13-11-20)30(4,5)6)33(28(36)27(23)35)16-19-9-8-14-31-15-19/h8-15,25,32,34H,7,16H2,1-6H3/b26-23+
InChIKey
CHJWHIKBQHEMLN-WNAAXNPUSA-N
Synonyms
844452-93-3
(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
844452933
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)C(C)(C)C)(O))C
ETHYL4((E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC30H33N3O5c173829(37)2417(2)22(18(3)3224)26(34)2325(20101221(131120)30(45)6)33(28(36)27(23)35)16199814311519h815253234H716H216H3b2623+
MFCD18247870
ZINC000102864222
ZINC000102864224

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Available files

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