Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(pentyloxy)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK565168
SMILES CCCCCOc1ccc(cc1)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/c1-5-8-9-19-38-26-14-11-23(12-15-26)29-28(30(35)24-13-16-27-25(21-24)20-22(4)39-27)31(36)32(37)34(29)18-10-17-33(6-2)7-3/h11-16,21-22,29,35H,5-10,17-20H2,1-4H3/b30-28+InChIKey
WTSIGUXJVOXUBX-SJCQXOIGSA-NSynonyms
578746-37-9(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(pentyloxy)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PENTOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578746379
CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(CC)CC
CCCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC32H42N2O5c1589193826141123(121526)2928(30(35)2413162725(2124)2022(4)3927)31(36)32(37)34(29)18101733(62)73h111621222935H5101720H214H3b3028+
MFCD18244706
ZINC000102533063
ZINC000102648654
Check stock
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Check stock on Vitas-MAvailable files
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