Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL043638
SMILES COc1cc(ccc1OC)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 C32H36N2O6 MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O6/c1-21-18-24(13-14-25(21)40-20-22-10-7-6-8-11-22)30(35)28-29(23-12-15-26(38-4)27(19-23)39-5)34(32(37)31(28)36)17-9-16-33(2)3/h6-8,10-15,18-19,29,35H,9,16-17,20H2,1-5H3/b30-28+InChIKey
WFZMSJGZFJBIJH-SJCQXOIGSA-NSynonyms
488109-98-4(4E)5(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(34dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
488109984
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)OC)OC)(O))OCC4=CC=CC=C4
COc1cc(ccc1OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
InChI=1SC32H36N2O6c1211824(131425(21)402022107681122)30(35)2829(23121526(384)27(1923)395)34(32(37)31(28)36)1791633(2)3h68101518192935H9161720H215H3b3028+
MFCD18248252
ZINC000102873149
ZINC000102873152
Check stock
See real-time availability and sample size for STL043638 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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