Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(4-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-ethoxyphenyl)methanolate
Catalog ID
STL150478
SMILES CCCOc1ccc(cc1)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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-3-16-35-23-11-7-20(8-12-23)25-24(26(31)21-9-13-22(14-10-21)34-4-2)27(32)28(33)30(25)18-19-6-5-15-29-17-19/h5-15,17,25,31H,3-4,16,18H2,1-2H3/b26-24+InChIKey
UXGFBNRLVGXZMR-SHHOIMCASA-NSynonyms
636991-56-5(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4PROPOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(4PROPOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
(E)(45dioxo2(4propoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4PROPOXYPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636991565
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC28H28N2O5c1316352311720(81223)2524(26(31)2191322(141021)3442)27(32)28(33)30(25)18196515291719h515172531H341618H212H3b2624+
MFCD20755838
ZINC000102930200
ZINC000102930203
Check stock
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Check stock on Vitas-MAvailable files
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