Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK562985
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1ccc(o1)C)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/c1-5-26(6-2)11-12-27-22(20-9-7-15(3)31-20)21(24(29)25(27)30)23(28)17-8-10-19-18(14-17)13-16(4)32-19/h7-10,14,16,22,28H,5-6,11-13H2,1-4H3/b23-21+InChIKey
RYGDMOHKIHHPKS-XTQSDGFTSA-NSynonyms
843670-68-8(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(5METHYLFURAN2YL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
843670688
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=C(O4)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)(O))C1c1ccc(o1)C)CC
InChI=1SC25H30N2O5c1526(62)11122722(209715(3)3120)21(24(29)25(27)30)23(28)178101918(1417)1316(4)3219h71014162228H561113H214H3b2321+
MFCD18244174
ZINC000009353792
ZINC000009353799
Check stock
See real-time availability and sample size for STK562985 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.