Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](4-ethoxyphenyl)methanolate
Catalog ID
STK564038
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-5-37-20-10-8-18(9-11-20)25(31)23-24(19-13-21(34-2)27(36-4)22(14-19)35-3)30(28(33)26(23)32)16-17-7-6-12-29-15-17/h6-15,24,31H,5,16H2,1-4H3/b25-23+InChIKey
FBCHKDVKGDQRTM-WJTDDFOZSA-NSynonyms
371135-56-7(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3PYRIDYLMETHYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc(nH+)c1)(O)
Registry IDs
MFCD18244444ZINC000102525325
ZINC000102525335
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.