Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL039409
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C28H32N2O5 MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5/c1-5-14-34-22-9-6-8-19(17-22)25-24(27(32)28(33)30(25)13-7-12-29(3)4)26(31)20-10-11-23-21(16-20)15-18(2)35-23/h5-6,8-11,16-18,25,31H,1,7,12-15H2,2-4H3/b26-24+InChIKey
YXNDBZZRZNEVEA-SHHOIMCASA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
C=CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC28H32N2O5c1514342296819(1722)2524(27(32)28(33)30(25)1371229(3)4)26(31)2010112321(1620)1518(2)3523h5681116182531H171215H224H3b2624+
MFCD18247829
ZINC000101313758
ZINC000101313767
Check stock
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Check stock on Vitas-MAvailable files
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