Vitas-M small molecule compound

(E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate

Catalog ID
STL150269
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-3-15-33-22-12-10-21(11-13-22)25(30)23-24(20-8-6-18(2)7-9-20)29(27(32)26(23)31)17-19-5-4-14-28-16-19/h4-14,16,24,30H,3,15,17H2,1-2H3/b25-23+
InChIKey
KFIAOMMIUNWASG-WJTDDFOZSA-N
Synonyms
636989-56-5
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4METHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
(E)(2(4methylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
3HYDROXY5(4METHYLPHENYL)4((4PROPOXYPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
3HYDROXY5(4METHYLPHENYL)4(4PROPOXYBENZOYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
636989565
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)C)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc(nH+)c1)(O)
InChI=1SC27H26N2O4c13153322121021(111322)25(30)2324(208618(2)7920)29(27(32)26(23)31)17195414281619h414162430H31517H212H3b2523+
MFCD20755788
ZINC000102930737
ZINC000102930739

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Available files

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