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

Catalog ID
STK566728
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+](C)C)/[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 C24H28FN3O5 MW 457.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28FN3O5/c1-13-17(14(2)26-19(13)24(32)33-5)21(29)18-20(15-9-6-7-10-16(15)25)28(23(31)22(18)30)12-8-11-27(3)4/h6-7,9-10,20,26,29H,8,11-12H2,1-5H3/b21-18+
InChIKey
DIHWUFHWFQKZKZ-DYTRJAOYSA-N
Synonyms
848203-30-5
(E)(1(3(dimethylammonio)propyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
848203305
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CC=C3F)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)(C)C)(O))C
InChI=1SC24H28FN3O5c11317(14(2)2619(13)24(32)335)21(29)1820(159671016(15)25)28(23(31)22(18)30)1281127(3)4h67910202629H81112H215H3b2118+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)2(2FLUOROPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((1(3(DIMETHYLAMINO)PROPYL)2(2FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL3YL)CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18245084
ZINC000102543527
ZINC000102543535

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Available files

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