Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL052431
SMILES CCOc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]
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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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-2-34-20-5-3-4-18(16-20)24-23(25(30)19-6-7-21-22(17-19)36-15-14-35-21)26(31)27(32)29(24)9-8-28-10-12-33-13-11-28/h3-7,16-17,24,30H,2,8-15H2,1H3/b25-23+InChIKey
OLWOJMKZZIIHML-WJTDDFOZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(3ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN5CCOCC5
CCOc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC27H30N2O7c12342053418(1620)2423(25(30)19672122(1719)3615143521)26(31)27(32)29(24)9828101233131128h3716172430H2815H21H3b2523+
MFCD18249464
ZINC000102889771
ZINC000102889773
Check stock
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