Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL045383
SMILES CCOc1ccc(cc1OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-7-29(8-2)14-15-30-25(19-10-13-22(36-9-3)23(17-19)35-6)24(27(32)28(30)33)26(31)21-12-11-20(34-5)16-18(21)4/h10-13,16-17,25,31H,7-9,14-15H2,1-6H3/b26-24+InChIKey
PAMHDJJTTUNFOY-SHHOIMCASA-NSynonyms
384377-18-8(4E)1(2DIETHYLAMINOETHYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
384377188
CC(NH+)(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OC
CCOc1ccc(cc1OC)C1N(CC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC28H36N2O6c1729(82)14153025(19101322(3693)23(1719)356)24(27(32)28(30)33)26(31)21121120(345)1618(21)4h101316172531H791415H216H3b2624+
MFCD18248625
ZINC000008817336
ZINC000008818087
Check stock
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Check stock on Vitas-MAvailable files
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