Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL049331
SMILES CCOc1cccc(c1)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 C28H32N2O7 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O7/c1-2-35-21-6-3-5-19(17-21)25-24(26(31)20-7-8-22-23(18-20)37-16-15-36-22)27(32)28(33)30(25)10-4-9-29-11-13-34-14-12-29/h3,5-8,17-18,25,31H,2,4,9-16H2,1H3/b26-24+InChIKey
FQBCKERYZFXQOB-SHHOIMCASA-NSynonyms
620559-99-1(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
620559991
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H32N2O7c12352163519(1721)2524(26(31)20782223(1820)3716153622)27(32)28(33)30(25)104929111334141229h35817182531H24916H21H3b2624+
MFCD18249258
ZINC000102885798
ZINC000102885799
Check stock
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