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(E)-{1-[3-(diethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL037149
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1)OC)CC

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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 C27H35N3O6 MW 497.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O6/c1-7-29(8-2)13-10-14-30-23(18-11-9-12-19(15-18)35-5)21(25(32)26(30)33)24(31)20-16(3)22(27(34)36-6)28-17(20)4/h9,11-12,15,23,28,31H,7-8,10,13-14H2,1-6H3/b24-21+
InChIKey
WWTVAXNRJBRLAO-DARPEHSRSA-N
Synonyms

(E)(1(3(diethylammonio)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CC(NH+)(CC)CCCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC(=CC=C3)OC
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccc(c1)OC)CC
InChI=1SC27H35N3O6c1729(82)1310143023(181191219(1518)355)21(25(32)26(30)33)24(31)2016(3)22(27(34)366)2817(20)4h9111215232831H78101314H216H3b2421+
METHYL4((1(3(DIETHYLAMINO)PROPYL)4HYDROXY2(3METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIETHYLAMINO)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIETHYLAMINO)PROPYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247372
ZINC000009046320
ZINC000009135559

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Available files

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