Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL148906
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1cccc(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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-4-27(5-2)11-12-28-23(17-7-6-8-20(29)15-17)22(25(31)26(28)32)24(30)18-9-10-21-19(14-18)13-16(3)33-21/h6-10,14-16,23,29-30H,4-5,11-13H2,1-3H3/b24-22+InChIKey
RGHJXEPUFOXCIQ-ZNTNEXAZSA-NSynonyms
(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3HYDROXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3hydroxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=CC=C4)O
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)(O))C1c1cccc(c1)O)CC
InChI=1SC26H30N2O5c1427(52)11122823(1776820(29)1517)22(25(31)26(28)32)24(30)189102119(1418)1316(3)3321h6101416232930H451113H213H3b2422+
MFCD20755496
ZINC000102932434
ZINC000102932442
Check stock
See real-time availability and sample size for STL148906 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.