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(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STL148336
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccncc1)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 C24H30N4O5 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5/c1-6-27(7-2)12-13-28-20(16-8-10-25-11-9-16)18(22(30)23(28)31)21(29)17-14(3)19(24(32)33-5)26-15(17)4/h8-11,20,26,29H,6-7,12-13H2,1-5H3/b21-18+
InChIKey
ZYIXAQDJTCIYDT-DYTRJAOYSA-N
Synonyms
573950-39-7
(E)(1(2(diethylammonio)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
573950397
CC(NH+)(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=CC=NC=C3
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1ccncc1)CC
InChI=1SC24H30N4O5c1627(72)12132820(168102511916)18(22(30)23(28)31)21(29)1714(3)19(24(32)335)2615(17)4h811202629H671213H215H3b2118+
METHYL4((1(2(DIETHYLAMINO)ETHYL)4HYDROXY5OXO2(4PYRIDYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIETHYLAMINOETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIETHYLAMINOETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755374
ZINC000009123739
ZINC000009123740

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Available files

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