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(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STK566344
SMILES C=CCOc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-7-15-36-19-11-9-18(10-12-19)23-21(25(32)26(33)30(23)14-8-13-29(4)5)24(31)20-16(2)22(27(34)35-6)28-17(20)3/h7,9-12,23,28,31H,1,8,13-15H2,2-6H3/b24-21+
InChIKey
VRFAQACSPXDKOR-DARPEHSRSA-N
Synonyms
623124-15-2
(E)(1(3(dimethylammonio)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
623124152
C=CCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)OCC=C)O)C)C(=O)OC
InChI=1SC27H33N3O6c1715361911918(101219)2321(25(32)26(33)30(23)1481329(4)5)24(31)2016(2)22(27(34)356)2817(20)3h7912232831H181315H226H3b2421+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(4PROP2ENYLOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18245000
ZINC000101297227
ZINC000101297230

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Available files

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