Vitas-M small molecule compound
(E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STK560274
SMILES COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1cccc[nH+]1
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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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c1-30-17-13-15(10-11-16(17)26)20-19(21(27)14-7-3-2-4-8-14)22(28)23(29)25(20)18-9-5-6-12-24-18/h2-13,20,26-27H,1H3/b21-19+InChIKey
NWHLOWYQLORDAA-XUTLUUPISA-NSynonyms
371118-66-0(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1PYRIDIN2YLPYRROLIDINE23DIONE
(E)(2(4hydroxy3methoxyphenyl)45dioxo1(pyridinium2yl)pyrrolidin3ylidene)(phenyl)methanolate
371118660
COC1=C(C=CC(=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4=CC=CC=N4)O
COc1cc(ccc1O)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1c1cccc(nH+)1
InChI=1SC23H18N2O5c130171315(101116(17)26)2019(21(27)147324814)22(28)23(29)25(20)18956122418h213202627H1H3b2119+
MFCD02160598
ZINC000100297623
ZINC000100297631
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