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(E)-[3-methyl-4-(2-methylpropoxy)phenyl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL148126
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[NH+]1CCOCC1)/[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 C27H33N3O5 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5/c1-18(2)17-35-22-5-4-21(16-19(22)3)25(31)23-24(20-6-8-28-9-7-20)30(27(33)26(23)32)11-10-29-12-14-34-15-13-29/h4-9,16,18,24,31H,10-15,17H2,1-3H3/b25-23+
InChIKey
YMCNPAACMCRLBL-WJTDDFOZSA-N
Synonyms
500274-81-7
(4E)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3methyl4(2methylpropoxy)phenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4(2METHYLPROPOXY)PHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((3METHYL4(2METHYLPROPOXY)PHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(4PYRIDYL)3PYRROLIN2ONE
500274817
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=NC=C4)(O))OCC(C)C
InChI=1SC27H33N3O5c118(2)1735225421(1619(22)3)25(31)2324(2068289720)30(27(33)26(23)32)111029121434151329h4916182431H101517H213H3b2523+
MFCD20755330
ZINC000102175654
ZINC000102175658

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Available files

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