Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK564039
SMILES COc1ccc(cc1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-5-29(6-2)14-7-15-30-25(19-8-11-22(34-4)12-9-19)24(27(32)28(30)33)26(31)20-10-13-23-21(17-20)16-18(3)35-23/h8-13,17-18,25,31H,5-7,14-16H2,1-4H3/b26-24+InChIKey
AJVNUTVYMSXDET-SHHOIMCASA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE(E)(1(3(diethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
Registry IDs
MFCD18244445ZINC000102525352
ZINC000102647188
Check stock
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Check stock on Vitas-MAvailable files
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