Vitas-M small molecule compound
(E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK560529
SMILES CC(c1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1)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 C26H30N2O4 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O4/c1-18(2)19-8-10-20(11-9-19)23-22(24(29)21-6-4-3-5-7-21)25(30)26(31)28(23)13-12-27-14-16-32-17-15-27/h3-11,18,23,29H,12-17H2,1-2H3/b24-22+InChIKey
CHLDUYZFWCLTOK-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(phenyl)methanolate
(E)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCN4CCOCC4
CC(c1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1)C
InChI=1SC26H30N2O4c118(2)1981020(11919)2322(24(29)216435721)25(30)26(31)28(23)131227141632171527h311182329H1217H212H3b2422+
MFCD18243561
ZINC000008462624
ZINC000009339641
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