Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL038383
SMILES CC[NH+](CCCN1C(c2ccccc2)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)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/c1-4-28(5-2)14-9-15-29-24(19-10-7-6-8-11-19)23(26(31)27(29)32)25(30)20-12-13-22-21(17-20)16-18(3)33-22/h6-8,10-13,17-18,24,30H,4-5,9,14-16H2,1-3H3/b25-23+InChIKey
XBEKZEYAKXPQJK-WJTDDFOZSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5PHENYLPYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
1(3DIETHYLAMINOPROPYL)3HYDROXY4(2METHYL23DIHYDROBENZOFURAN5CARBONYL)5PHENYL15DIHYDROPYRROL2ONE
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=CC=C4
CC(NH+)(CCCN1C(c2ccccc2)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
InChI=1SC27H32N2O4c1428(52)149152924(19107681119)23(26(31)27(29)32)25(30)2012132221(1720)1618(3)3322h68101317182430H4591416H213H3b2523+
MFCD18247613
ZINC000102861431
ZINC000102861439
Check stock
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Check stock on Vitas-MAvailable files
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