Vitas-M small molecule compound
(E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL151135
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[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 C27H24N2O4 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4/c1-3-14-33-22-8-4-7-21(15-22)24-23(25(30)20-11-9-18(2)10-12-20)26(31)27(32)29(24)17-19-6-5-13-28-16-19/h3-13,15-16,24,30H,1,14,17H2,2H3/b25-23+InChIKey
DEFYLDWVPGMQLV-WJTDDFOZSA-NSynonyms
615271-40-4(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(3PROP2ENOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45dioxo2(3(prop2en1yloxy)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(45DIOXO2(3PROP2ENOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
5(3(ALLYLOXY)PHENYL)3HYDROXY4(4METHYLBENZOYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
615271404
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC27H24N2O4c1314332284721(1522)2423(25(30)2011918(2)101220)26(31)27(32)29(24)17196513281619h31315162430H11417H22H3b2523+
MFCD20755986
ZINC000101313337
ZINC000101313340
Check stock
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Check stock on Vitas-MAvailable files
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