Vitas-M small molecule compound
(E)-[1-(2-methoxyethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK565375
SMILES COCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-18-5-3-4-6-21(18)17-34-22-9-7-20(8-10-22)25(30)23-24(19-11-13-28-14-12-19)29(15-16-33-2)27(32)26(23)31/h3-14,24,30H,15-17H2,1-2H3/b25-23+InChIKey
HJUHVZBBFVQKDV-WJTDDFOZSA-NSynonyms
577788-05-7(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(2METHOXYETHYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(2methoxyethyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(2METHOXYETHYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
577788057
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCOC)C4=CC=NC=C4)O
COCCN1C(c2cc(nH+)cc2)C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C1=O
InChI=1SC27H26N2O5c118534621(18)1734229720(81022)25(30)2324(19111328141219)29(1516332)27(32)26(23)31h3142430H1517H212H3b2523+
MFCD18244765
ZINC000102534527
ZINC000102534533
Check stock
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Check stock on Vitas-MAvailable files
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