Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150260
SMILES COc1ccccc1C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-33-19-6-3-2-5-18(19)23-22(24(30)17-7-8-20-21(15-17)35-14-13-34-20)25(31)26(32)29(23)11-4-10-28-12-9-27-16-28/h2-3,5-9,12,15-16,23,30H,4,10-11,13-14H2,1H3/b24-22+InChIKey
HASAYMQEPUQDHJ-ZNTNEXAZSA-NSynonyms
618410-77-8(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(1Himidazol3ium1yl)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(2METHOXYPHENYL)3PYRROLIN2ONE
618410778
COC1=CC=CC=C1C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
COc1ccccc1C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H25N3O6c13319632518(19)2322(24(30)17782021(1517)3514133420)25(31)26(32)29(23)1141028129271628h23591215162330H410111314H21H3b2422+
MFCD20755786
ZINC000102930501
ZINC000102930503
Check stock
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Check stock on Vitas-MAvailable files
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