Vitas-M small molecule compound
(E)-[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK559602
SMILES COCCCN1C(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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-19-6-3-4-7-22(19)18-35-23-10-8-21(9-11-23)26(31)24-25(20-12-14-29-15-13-20)30(16-5-17-34-2)28(33)27(24)32/h3-4,6-15,25,31H,5,16-18H2,1-2H3/b26-24+InChIKey
IAESIZYQIWVWTB-SHHOIMCASA-NSynonyms
578006-00-5(4E)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(3METHOXYPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3methoxypropyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(3METHOXYPROPYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
578006005
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CCCOC)C4=CC=(NH+)C=C4)(O)
COCCCN1C(c2cc(nH+)cc2)C(=C(c2ccc(cc2)OCc2ccccc2C)(O))C(=O)C1=O
InChI=1SC28H28N2O5c119634722(19)18352310821(91123)26(31)2425(20121429151320)30(16517342)28(33)27(24)32h346152531H51618H212H3b2624+
MFCD18243314
ZINC000102488631
ZINC000102488640
Check stock
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Check stock on Vitas-MAvailable files
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