Vitas-M small molecule compound

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

Catalog ID
STK563810
SMILES COc1cccc(c1)/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 C24H20N2O4 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O4/c1-30-19-11-5-10-18(13-19)22(27)20-21(17-8-3-2-4-9-17)26(24(29)23(20)28)15-16-7-6-12-25-14-16/h2-14,21,27H,15H2,1H3/b22-20+
InChIKey
SECHBYVDDGOTOA-LSDHQDQOSA-N
Synonyms
609312-54-1
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
(E)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY4((3METHOXYPHENYL)CARBONYL)5PHENYL1(3PYRIDYLMETHYL)3PYRROLIN2ONE
609312541
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CC=C4)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC24H20N2O4c130191151018(1319)22(27)2021(178324917)26(24(29)23(20)28)15167612251416h2142127H15H21H3b2220+
MFCD18244389
ZINC000102523594
ZINC000102523599

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Available files

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