Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL043631
SMILES CC[NH+](CCCN1C(c2ccco2)/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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-4-26(5-2)11-7-12-27-22(20-8-6-13-31-20)21(24(29)25(27)30)23(28)17-9-10-19-18(15-17)14-16(3)32-19/h6,8-10,13,15-16,22,28H,4-5,7,11-12,14H2,1-3H3/b23-21+InChIKey
RNDNMHNJASXELT-XTQSDGFTSA-NSynonyms
843636-72-6(4E)1(3(DIETHYLAMINO)PROPYL)5(FURAN2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(furan2yl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
843636726
CC(NH+)(CCCN1C(c2ccco2)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=CO4
InChI=1SC25H30N2O5c1426(52)117122722(2086133120)21(24(29)25(27)30)23(28)179101918(1517)1416(3)3219h68101315162228H457111214H213H3b2321+
MFCD18248249
ZINC000102872855
ZINC000102872863
Check stock
See real-time availability and sample size for STL043631 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.