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

Catalog ID
STL037418
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[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/c1-6-33-24(32)19-13(2)17(14(3)26-19)21(29)18-20(15-7-9-16(25)10-8-15)28(12-11-27(4)5)23(31)22(18)30/h7-10,20,26,29H,6,11-12H2,1-5H3/b21-18+
InChIKey
NHSALAGZYPZRDI-DYTRJAOYSA-N
Synonyms
847369-14-6
(E)(1(2(dimethylammonio)ethyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847369146
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)F)O)C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)2(4FLUOROPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(1(2(dimethylamino)ethyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC24H28FN3O5c163324(32)1913(2)17(14(3)2619)21(29)1820(157916(25)10815)28(121127(4)5)23(31)22(18)30h710202629H61112H215H3b2118+
MFCD18247425
ZINC000102859133
ZINC000102859139

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Available files

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