Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL038615
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)CCCn1cc[nH+]c1)/[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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-3-18-36-23-12-8-21(9-13-23)26(32)24-25(20-6-10-22(11-7-20)35-4-2)31(28(34)27(24)33)16-5-15-30-17-14-29-19-30/h6-14,17,19,25,32H,3-5,15-16,18H2,1-2H3/b26-24+InChIKey
LRVVKHCXFIHJHK-SHHOIMCASA-NSynonyms
615270-41-2(4E)5(4ETHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
5(4ETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615270412
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OCC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCC)CCCn1cc(nH+)c1)(O)
InChI=1SC28H31N3O5c1318362312821(91323)26(32)2425(2061022(11720)3542)31(28(34)27(24)33)16515301714291930h61417192532H35151618H212H3b2624+
MFCD18247668
ZINC000102860818
ZINC000102860821
Check stock
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Check stock on Vitas-MAvailable files
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