Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL047279
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C36H42N2O6 MW 598.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N2O6/c1-5-37(6-2)18-11-19-38-33(26-14-17-30(31(22-26)42-7-3)43-23-25-12-9-8-10-13-25)32(35(40)36(38)41)34(39)27-15-16-29-28(21-27)20-24(4)44-29/h8-10,12-17,21-22,24,33,39H,5-7,11,18-20,23H2,1-4H3/b34-32+InChIKey
QNEPBZKDRPXMKR-NWBJSICCSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC36H42N2O6c1537(62)1811193833(26141730(31(2226)4273)4323251298101325)32(35(40)36(38)41)34(39)2715162928(2127)2024(4)4429h81012172122243339H5711182023H214H3b3432+
MFCD18249034
ZINC000102882948
ZINC000102882954
Check stock
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