Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK562344
SMILES CCOc1ccc(cc1OC)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 C33H38N2O6 MW 558.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O6/c1-6-40-27-16-13-24(20-28(27)39-5)30-29(32(37)33(38)35(30)18-10-17-34(3)4)31(36)25-14-15-26(22(2)19-25)41-21-23-11-8-7-9-12-23/h7-9,11-16,19-20,30,36H,6,10,17-18,21H2,1-5H3/b31-29+InChIKey
ABTFSOFGNZBGBL-OWWNRXNESA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C)OC
CCOc1ccc(cc1OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
Registry IDs
MFCD18244026ZINC000102511748
ZINC000102511756
Check stock
See real-time availability and sample size for STK562344 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.