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

Catalog ID
STL039687
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[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 C28H35N3O5 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5/c1-19(2)18-36-23-6-5-22(17-20(23)3)26(32)24-25(21-7-9-29-10-8-21)31(28(34)27(24)33)12-4-11-30-13-15-35-16-14-30/h5-10,17,19,25,32H,4,11-16,18H2,1-3H3/b26-24+
InChIKey
KCYNNDKDKZFJDM-SHHOIMCASA-N
Synonyms
488092-87-1
(4E)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(3methyl4(2methylpropoxy)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(3METHYL4(2METHYLPROPOXY)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4(4ISOBUTOXY3METHYLBENZOYL)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YL15DIHYDRO2HPYRROL2ONE
488092871
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=NC=C4)(O))OCC(C)C
InChI=1SC28H35N3O5c119(2)1836236522(1720(23)3)26(32)2425(21792910821)31(28(34)27(24)33)1241130131535161430h51017192532H4111618H213H3b2624+
MFCD18247878
ZINC000102175634
ZINC000102175638

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Available files

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