Vitas-M small molecule compound
(E)-[1-(furan-2-ylmethyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STK563483
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cc[nH+]cc1)Cc1ccco1)/c1ccc(cc1)OCc1ccccc1C
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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 C29H24N2O5 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5/c1-19-5-2-3-6-22(19)18-36-23-10-8-21(9-11-23)27(32)25-26(20-12-14-30-15-13-20)31(29(34)28(25)33)17-24-7-4-16-35-24/h2-16,26,32H,17-18H2,1H3/b27-25+InChIKey
VNJTVJCIURQNDI-IMVLJIQESA-NSynonyms
577789-67-4(4E)1(FURAN2YLMETHYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(furan2ylmethyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(FURAN2YLMETHYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(O)C(=C1C(=O)C(=O)N(C1c1cc(nH+)cc1)Cc1ccco1)c1ccc(cc1)OCc1ccccc1C
577789674
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC=(NH+)C=C5)(O)
InChI=1SC29H24N2O5c119523622(19)18362310821(91123)27(32)2526(20121430151320)31(29(34)28(25)33)172474163524h2162632H1718H21H3b2725+
MFCD18244310
ZINC000102520902
ZINC000102520911
Check stock
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Check stock on Vitas-MAvailable files
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