Vitas-M small molecule compound
(E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL045864
SMILES CCOc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-4-35-22-13-18(7-10-21(22)30)24-23(25(31)20-9-8-19(34-3)12-16(20)2)26(32)27(33)29(24)15-17-6-5-11-28-14-17/h5-14,24,30-31H,4,15H2,1-3H3/b25-23+InChIKey
ZPOOZWFPTPGFJK-WJTDDFOZSA-NSynonyms
488716-99-0(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
488716990
CCOC1=C(C=CC(=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)O
CCOc1cc(ccc1O)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC27H26N2O6c1435221318(71021(22)30)2423(25(31)209819(343)1216(20)2)26(32)27(33)29(24)15176511281417h514243031H415H213H3b2523+
MFCD18248732
ZINC000102879005
ZINC000102879008
Check stock
See real-time availability and sample size for STL045864 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.