Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL048118
SMILES COc1c(OC)cc(cc1OC)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 C29H34N2O9 MW 554.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O9/c1-35-22-16-19(17-23(36-2)28(22)37-3)25-24(26(32)18-5-6-20-21(15-18)40-14-13-39-20)27(33)29(34)31(25)8-4-7-30-9-11-38-12-10-30/h5-6,15-17,25,32H,4,7-14H2,1-3H3/b26-24+InChIKey
VSFJXMQNDUQXOD-SHHOIMCASA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(morpholin4ium4yl)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(345TRIMETHOXYPHENYL)3PYRROLIN2ONE
COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5CCOCC5
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H34N2O9c135221619(1723(362)28(22)373)2524(26(32)18562021(1518)4014133920)27(33)29(34)31(25)8473091138121030h5615172532H4714H213H3b2624+
MFCD18249173
ZINC000102883678
ZINC000102883680
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