Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK559978
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](C)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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-5-33-19-9-7-17(15-21(19)34-6-2)24-23(26(31)27(32)29(24)12-11-28(3)4)25(30)18-8-10-20-22(16-18)36-14-13-35-20/h7-10,15-16,24,30H,5-6,11-14H2,1-4H3/b25-23+InChIKey
XPUQSYWNXYKCKO-WJTDDFOZSA-NSynonyms
(4E)5(34DIETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(34DIETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY3PYRROLIN2ONE
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC27H32N2O7c1533199717(1521(19)3462)2423(26(31)27(32)29(24)121128(3)4)25(30)188102022(1618)3614133520h71015162430H561114H214H3b2523+
MFCD18243419
ZINC000009354389
ZINC000009403463
Check stock
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