Vitas-M small molecule compound

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

Catalog ID
STK566150
SMILES Cc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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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 C24H20N2O3 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O3/c1-16-9-11-18(12-10-16)21-20(22(27)19-7-3-2-4-8-19)23(28)24(29)26(21)15-17-6-5-13-25-14-17/h2-14,21,27H,15H2,1H3/b22-20+
InChIKey
OVKWOZBAGBWLBT-LSDHQDQOSA-N
Synonyms

(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4METHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(2(4methylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(phenyl)methanolate
4BENZOYL3HYDROXY1PYRIDIN3YLMETHYL5PTOLYL15DIHYDROPYRROL2ONE
4BENZOYL3HYDROXY5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)25DIHYDRO1HPYRROL2ONE
CC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
Cc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC24H20N2O3c11691118(121016)2120(22(27)197324819)23(28)24(29)26(21)15176513251417h2142127H15H21H3b2220+
MFCD18244962
ZINC000102649825
ZINC000102649826

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.