Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxy-4-propoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL055210
SMILES CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C31H38N2O8 MW 566.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O8/c1-3-14-39-23-8-6-21(19-25(23)38-4-2)28-27(29(34)22-7-9-24-26(20-22)41-18-17-40-24)30(35)31(36)33(28)11-5-10-32-12-15-37-16-13-32/h6-9,19-20,28,34H,3-5,10-18H2,1-2H3/b29-27+InChIKey
WTSZOQCQBXTZGD-ORIPQNMZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4propoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PROPOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC31H38N2O8c131439238621(1925(23)3842)2827(29(34)22792426(2022)4118174024)30(35)31(36)33(28)1151032121537161332h6919202834H351018H212H3b2927+
MFCD18249661
ZINC000102894457
ZINC000102894460
Check stock
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Check stock on Vitas-MAvailable files
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