Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL040549
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC[NH+](CC)CC)/[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/c1-5-8-17-36-21-12-9-19(10-13-21)26(32)24-25(20-11-14-22(31)23(18-20)35-4)30(28(34)27(24)33)16-15-29(6-2)7-3/h9-14,18,25,31-32H,5-8,15-17H2,1-4H3/b26-24+InChIKey
KGJGBQXKSKKGQT-SHHOIMCASA-NSynonyms
844659-67-2(4E)4((4butoxyphenyl)hydroxymethylidene)1(2(diethylamino)ethyl)5(4hydroxy3methoxyphenyl)pyrrolidine23dione
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(2(diethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
844659672
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(CC)CC)C3=CC(=C(C=C3)O)OC)O
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CC(NH+)(CC)CC)(O)
InChI=1SC28H36N2O6c15817362112919(101321)26(32)2425(20111422(31)23(1820)354)30(28(34)27(24)33)161529(62)73h91418253132H581517H214H3b2624+
MFCD18248041
ZINC000102865969
ZINC000102865973
Check stock
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Check stock on Vitas-MAvailable files
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