Vitas-M small molecule compound
(E)-[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK563357
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccc[nH+]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 C25H22N2O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4/c1-16-13-19(10-11-20(16)31-2)23(28)21-22(18-8-4-3-5-9-18)27(25(30)24(21)29)15-17-7-6-12-26-14-17/h3-14,22,28H,15H2,1-2H3/b23-21+InChIKey
GKXVUDKJDMRARQ-XTQSDGFTSA-NSynonyms
460046-24-6(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
460046246
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CC=C4)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC25H22N2O4c1161319(101120(16)312)23(28)2122(188435918)27(25(30)24(21)29)15177612261417h3142228H15H212H3b2321+
MFCD18244274
ZINC000102519796
ZINC000102519802
Check stock
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Check stock on Vitas-MAvailable files
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