Vitas-M small molecule compound

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

Catalog ID
STK561250
SMILES COc1cccc(c1)/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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c1-16-8-10-18(11-9-16)22-21(23(28)19-6-3-7-20(13-19)31-2)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h3-14,22,28H,15H2,1-2H3/b23-21+
InChIKey
ACKNUDARGCLQMG-XTQSDGFTSA-N
Synonyms
609312-56-3
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3METHOXYPHENYL)(2(4METHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(3methoxyphenyl)(2(4methylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
3HYDROXY4((3METHOXYPHENYL)CARBONYL)5(4METHYLPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
3HYDROXY4(3METHOXYBENZOYL)5(4METHYLPHENYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
609312563
CC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc(nH+)c1)(O)
InChI=1SC25H22N2O4c11681018(11916)2221(23(28)1963720(1319)312)24(29)25(30)27(22)15175412261417h3142228H15H212H3b2321+
MFCD18243739
ZINC000102502478
ZINC000102502486

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Available files

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