Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL037043
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+]1CCOCC1)/[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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-3-17-35-23-11-9-22(10-12-23)26(31)24-25(21-7-5-20(2)6-8-21)30(28(33)27(24)32)14-4-13-29-15-18-34-19-16-29/h5-12,25,31H,3-4,13-19H2,1-2H3/b26-24+InChIKey
HMCNUSWIHTXPSZ-SHHOIMCASA-NSynonyms
615276-01-2(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
3HYDROXY5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276012
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)C)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC28H34N2O5c1317352311922(101223)26(31)2425(217520(2)6821)30(28(33)27(24)32)1441329151834191629h5122531H341319H212H3b2624+
MFCD18247350
ZINC000102857439
ZINC000102857441
Check stock
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Check stock on Vitas-MAvailable files
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