Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL151030
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-5-17-33-22-10-8-9-21(18-22)24-23(25(30)20-13-11-19(4)12-14-20)26(31)27(32)29(24)16-15-28(6-2)7-3/h5,8-14,18,24,30H,1,6-7,15-17H2,2-4H3/b25-23+InChIKey
LJAJTLHQQMKVTD-WJTDDFOZSA-NSynonyms
615270-34-3(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
5(3(ALLYLOXY)PHENYL)1(2(DIETHYLAMINO)ETHYL)3HYDROXY4(4METHYLBENZOYL)15DIHYDRO2HPYRROL2ONE
615270343
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)C)(O))C(=O)C1=O)C3=CC(=CC=C3)OCC=C
InChI=1SC27H32N2O4c15173322108921(1822)2423(25(30)20131119(4)121420)26(31)27(32)29(24)161528(62)73h5814182430H1671517H224H3b2523+
MFCD20755957
ZINC000008817285
ZINC000008818062
Check stock
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Check stock on Vitas-MAvailable files
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