Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK565070
SMILES COc1cc(cc(c1OC)OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[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/c1-16-11-18(8-9-20(16)34-2)25(31)23-24(19-12-21(35-3)27(37-5)22(13-19)36-4)30(28(33)26(23)32)15-17-7-6-10-29-14-17/h6-14,24,31H,15H2,1-5H3/b25-23+InChIKey
NHXDAOBSAHFLMJ-WJTDDFOZSA-NSynonyms
460046-34-8(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
460046348
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)(O))OC
COc1cc(cc(c1OC)OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC)(O)
InChI=1SC28H28N2O7c1161118(8920(16)342)25(31)2324(191221(353)27(375)22(1319)364)30(28(33)26(23)32)15177610291417h6142431H15H215H3b2523+
MFCD18244684
ZINC000102532446
ZINC000102532452
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.