Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL149077
SMILES COc1cc(ccc1O)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-5-29(6-2)12-7-13-30-25(18-8-10-21(31)23(16-18)35-4)24(27(33)28(30)34)26(32)19-9-11-22-20(15-19)14-17(3)36-22/h8-11,15-17,25,31-32H,5-7,12-14H2,1-4H3/b26-24+InChIKey
AZRGBBORNQMMHE-SHHOIMCASA-NSynonyms
840517-94-4(4E)1(3(DIETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
840517944
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)O)OC
COc1cc(ccc1O)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC28H34N2O6c1529(62)127133025(1881021(31)23(1618)354)24(27(33)28(30)34)26(32)199112220(1519)1417(3)3622h8111517253132H571214H214H3b2624+
MFCD20755529
ZINC000102928535
ZINC000102928543
Check stock
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Check stock on Vitas-MAvailable files
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