Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl)[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL038899
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-31-19-11-10-18(13-20(19)32-2)23(28)21-22(17-8-4-3-5-9-17)27(25(30)24(21)29)15-16-7-6-12-26-14-16/h3-14,22,28H,15H2,1-2H3/b23-21+InChIKey
FAGYAXKVTLWJOP-XTQSDGFTSA-NSynonyms
636989-51-0(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(34DIMETHOXYPHENYL)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(34dimethoxyphenyl)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY5PHENYL1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636989510
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CC=C4)(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC25H22N2O5c13119111018(1320(19)322)23(28)2122(178435917)27(25(30)24(21)29)15167612261416h3142228H15H212H3b2321+
MFCD18247725
ZINC000102862416
ZINC000102862419
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