Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STL046505
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-3-15-35-23-9-5-8-21(16-23)25-24(26(31)20-10-12-22(13-11-20)34-4-2)27(32)28(33)30(25)18-19-7-6-14-29-17-19/h3,5-14,16-17,25,31H,1,4,15,18H2,2H3/b26-24+InChIKey
WUAXQBDYWMFPIY-SHHOIMCASA-NSynonyms
620123-08-2(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3PROP2ENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3PROP2ENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(3(prop2en1yloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(45DIOXO2(3PROP2ENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3PROP2ENYLOXYPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
620123082
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC28H26N2O5c1315352395821(1623)2524(26(31)20101222(131120)3442)27(32)28(33)30(25)18197614291719h351416172531H141518H22H3b2624+
MFCD18248863
ZINC000101313581
ZINC000101313584
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