Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(dimethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039264
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)CC[NH+](C)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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-6-8-15-36-22-12-10-20(16-18(22)3)26(32)24-25(19-9-11-21(31)23(17-19)35-7-2)30(14-13-29(4)5)28(34)27(24)33/h9-12,16-17,25,31-32H,6-8,13-15H2,1-5H3/b26-24+InChIKey
LSEZRPDSAYHDNP-SHHOIMCASA-NSynonyms
488803-31-2(4E)4((4butoxy3methylphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)5(3ethoxy4hydroxyphenyl)pyrrolidine23dione
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4HYDROXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(dimethylammonio)ethyl)2(3ethoxy4hydroxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3ETHOXY4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488803312
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C=C3)O)OCC)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)CC(NH+)(C)C)(O)
InChI=1SC28H36N2O6c168153622121020(1618(22)3)26(32)2425(1991121(31)23(1719)3572)30(141329(4)5)28(34)27(24)33h9121617253132H681315H215H3b2624+
MFCD18247796
ZINC000102863442
ZINC000102863446
Check stock
See real-time availability and sample size for STL039264 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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