Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-2-yl)pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL047372
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc[nH+]1)/[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 C28H26N2O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O4/c1-4-17-34-22-14-12-21(13-15-22)26(31)24-25(20-10-8-19(9-11-20)18(2)3)30(28(33)27(24)32)23-7-5-6-16-29-23/h4-16,18,25,31H,1,17H2,2-3H3/b26-24+InChIKey
ZLTWRLKYDFLAHE-SHHOIMCASA-NSynonyms
638135-46-3(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(45dioxo2(4(propan2yl)phenyl)1(pyridinium2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
3HYDROXY5(4(METHYLETHYL)PHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
638135463
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc(nH+)1)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2C4=CC=CC=N4
InChI=1SC28H26N2O4c14173422141221(131522)26(31)2425(2010819(91120)18(2)3)30(28(33)27(24)32)23756162923h416182531H117H223H3b2624+
MFCD18249056
ZINC000101287288
ZINC000101287290
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