Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[3-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL037630
SMILES CCCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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 C32H42N2O5 MW 534.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O5/c1-5-8-9-18-38-26-13-10-12-23(21-26)29-28(30(35)24-14-15-27-25(20-24)19-22(4)39-27)31(36)32(37)34(29)17-11-16-33(6-2)7-3/h10,12-15,20-22,29,35H,5-9,11,16-19H2,1-4H3/b30-28+InChIKey
FHQXPMQBJZUPRA-SJCQXOIGSA-NSynonyms
585550-39-6(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(3(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(3PENTOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
585550396
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)(CC)CC
CCCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC32H42N2O5c158918382613101223(2126)2928(30(35)2414152725(2024)1922(4)3927)31(36)32(37)34(29)17111633(62)73h10121520222935H59111619H214H3b3028+
MFCD18247461
ZINC000102858571
ZINC000102858581
Check stock
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Check stock on Vitas-MAvailable files
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