Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL051577
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-4-15-31-19-11-7-17(8-12-19)22(28)20-21(16-5-9-18(27)10-6-16)26(14-13-25(2)3)24(30)23(20)29/h5-12,21,27-28H,4,13-15H2,1-3H3/b22-20+InChIKey
KKKGATNDSCVBMX-LSDHQDQOSA-NSynonyms
(4E)1(2(dimethylamino)ethyl)5(4hydroxyphenyl)4(hydroxy(4propoxyphenyl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4HYDROXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)O)CC(NH+)(C)C)(O)
InChI=1SC24H28N2O5c1415311911717(81219)22(28)2021(165918(27)10616)26(141325(2)3)24(30)23(20)29h512212728H41315H213H3b2220+
MFCD18249412
ZINC000102888663
ZINC000102888666
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.