Vitas-M small molecule compound
(E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK564455
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C26H22N2O4 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4/c1-3-16-32-20-13-11-19(12-14-20)24(29)22-23(18-9-7-17(2)8-10-18)28(26(31)25(22)30)21-6-4-5-15-27-21/h3-15,23,29H,1,16H2,2H3/b24-22+InChIKey
KEULLOFBYQLEAI-ZNTNEXAZSA-NSynonyms
615275-53-1(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4methylphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
3HYDROXY5(4METHYLPHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)1(2PYRIDYL)3PYRROLIN2ONE
615275531
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)c1cccc(nH+)1)(O)
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2C4=CC=CC=N4
InChI=1SC26H22N2O4c13163220131119(121420)24(29)2223(189717(2)81018)28(26(31)25(22)30)21645152721h3152329H116H22H3b2422+
MFCD18244541
ZINC000101287361
ZINC000101287365
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