Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563217
SMILES CCOc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[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 C32H36N2O5 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O5/c1-5-38-26-15-12-24(13-16-26)29-28(31(36)32(37)34(29)19-9-18-33(3)4)30(35)25-14-17-27(22(2)20-25)39-21-23-10-7-6-8-11-23/h6-8,10-17,20,29,35H,5,9,18-19,21H2,1-4H3/b30-28+InChIKey
LAAVDVGZDFEZNZ-SJCQXOIGSA-NSynonyms
488733-91-1(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
488733911
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCCN(C)C
CCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC32H36N2O5c153826151224(131626)2928(31(36)32(37)34(29)1991833(3)4)30(35)25141727(22(2)2025)392123107681123h681017202935H59181921H214H3b3028+
MFCD18244242
ZINC000009045370
ZINC000009177203
Check stock
See real-time availability and sample size for STK563217 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.