Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL051682
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C34H36N2O8 MW 600.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N2O8/c1-2-41-28-20-24(8-10-27(28)44-22-23-6-4-3-5-7-23)31-30(32(37)25-9-11-26-29(21-25)43-19-18-42-26)33(38)34(39)36(31)13-12-35-14-16-40-17-15-35/h3-11,20-21,31,37H,2,12-19,22H2,1H3/b32-30+InChIKey
IBMNRUAENXGCRJ-NHQGMKOOSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXY4PHENYLMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC34H36N2O8c1241282024(81027(28)4422236435723)3130(32(37)259112629(2125)4319184226)33(38)34(39)36(31)131235141640171535h31120213137H2121922H21H3b3230+
MFCD18249417
ZINC000102888713
ZINC000102888715
Check stock
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