Vitas-M small molecule compound
(E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK559754
SMILES CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OC)\[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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-4-35-22-13-18(7-9-20(22)30)24-23(25(31)19-8-10-21(34-3)16(2)12-19)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
JBCZCCGXTYAHBX-WJTDDFOZSA-NSynonyms
460046-33-7(4E)5(3ETHOXY4HYDROXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
460046337
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)O
CCOc1cc(ccc1O)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O6c1435221318(7920(22)30)2423(25(31)1981021(343)16(2)1219)26(32)27(33)29(24)15176511281417h514243031H415H213H3b2523+
MFCD18243360
ZINC000102490158
ZINC000102490167
Check stock
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Check stock on Vitas-MAvailable files
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