Vitas-M small molecule compound

(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STK566517
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-2-16-34-22-11-6-10-21(19-22)24-23(25(30)20-8-4-3-5-9-20)26(31)27(32)29(24)13-7-12-28-14-17-33-18-15-28/h2-6,8-11,19,24,30H,1,7,12-18H2/b25-23+
InChIKey
BSSNBWNOUCYLHJ-WJTDDFOZSA-N
Synonyms
615270-20-7
(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
3HYDROXY1(3MORPHOLIN4YLPROPYL)4(PHENYLCARBONYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
5(3(ALLYLOXY)PHENYL)4BENZOYL3HYDROXY1(3(4MORPHOLINYL)PROPYL)15DIHYDRO2HPYRROL2ONE
615270207
C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4CCOCC4
C=CCOc1cccc(c1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC27H30N2O5c121634221161021(1922)2423(25(30)208435920)26(31)27(32)29(24)1371228141733181528h26811192430H171218H2b2523+
MFCD18245045
ZINC000101314007
ZINC000101314010

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Available files

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