Vitas-M small molecule compound
(E)-{2-[3-(3-methylbutoxy)phenyl]-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK559921
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)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 C32H40N2O6 MW 548.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O6/c1-21(2)10-15-39-26-7-4-6-23(20-26)29-28(30(35)24-8-9-27-25(19-24)18-22(3)40-27)31(36)32(37)34(29)12-5-11-33-13-16-38-17-14-33/h4,6-9,19-22,29,35H,5,10-18H2,1-3H3/b30-28+InChIKey
YZYIOOQJUIFDQU-SJCQXOIGSA-NSynonyms
840512-66-5(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3(3methylbutoxy)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3(3METHYLBUTOXY)PHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
840512665
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC(=CC=C5)OCCC(C)C)(O)
InChI=1SC32H40N2O6c121(2)1015392674623(2026)2928(30(35)24892725(1924)1822(3)4027)31(36)32(37)34(29)1251133131638171433h46919222935H51018H213H3b3028+
MFCD18243403
ZINC000102076624
ZINC000102076640
Check stock
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Check stock on Vitas-MAvailable files
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