Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045890
SMILES COc1cc(ccc1OC)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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-6-30(7-2)13-8-14-31-26(19-9-12-23(35-4)24(17-19)36-5)25(28(33)29(31)34)27(32)20-10-11-22-21(16-20)15-18(3)37-22/h9-12,16-18,26,32H,6-8,13-15H2,1-5H3/b27-25+InChIKey
ALTGRFTXKNFRKS-IMVLJIQESA-NSynonyms
847039-44-5(4E)1(3(DIETHYLAMINO)PROPYL)5(34DIMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(34dimethoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(34DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
847039445
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC29H36N2O6c1630(72)138143126(1991223(354)24(1719)365)25(28(33)29(31)34)27(32)2010112221(1620)1518(3)3722h91216182632H681315H215H3b2725+
MFCD18248742
ZINC000009354281
ZINC000009403377
Check stock
See real-time availability and sample size for STL045890 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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