Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563009
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC[NH+](CC)CC)/[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 C29H38N2O6 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O6/c1-6-9-16-37-23-13-11-21(17-19(23)4)27(33)25-26(20-10-12-22(32)24(18-20)36-5)31(29(35)28(25)34)15-14-30(7-2)8-3/h10-13,17-18,26,32-33H,6-9,14-16H2,1-5H3/b27-25+InChIKey
MNNSTQIAJNKKBZ-IMVLJIQESA-NSynonyms
488810-33-9(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(diethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488810339
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(CC)CC)C3=CC(=C(C=C3)O)OC)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC(NH+)(CC)CC)(O)
InChI=1SC29H38N2O6c169163723131121(1719(23)4)27(33)2526(20101222(32)24(1820)365)31(29(35)28(25)34)151430(72)83h10131718263233H691416H215H3b2725+
MFCD18244183
ZINC000102517017
ZINC000102517026
Check stock
See real-time availability and sample size for STK563009 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.