Vitas-M small molecule compound
(E)-[2-(3,4-diethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STK559896
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccccc2)\[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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-3-33-21-13-12-20(15-22(21)34-4-2)24-23(25(30)19-10-6-5-7-11-19)26(31)27(32)29(24)17-18-9-8-14-28-16-18/h5-16,24,30H,3-4,17H2,1-2H3/b25-23+InChIKey
MJMGWGQQRRHUSB-WJTDDFOZSA-NSynonyms
620132-16-3(4E)5(34DIETHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DIETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(2(34diethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(phenyl)methanolate
5(34DIETHOXYPHENYL)3HYDROXY4(PHENYLCARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
620132163
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CC4=CN=CC=C4)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O5c133321131220(1522(21)3442)2423(25(30)19106571119)26(31)27(32)29(24)17189814281618h5162430H3417H212H3b2523+
MFCD18243394
ZINC000102491330
ZINC000102491337
Check stock
See real-time availability and sample size for STK559896 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.