Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL043459
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1)OC
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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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-34-18-5-7-20(35-2)19(15-18)24-23(25(31)17-4-6-21-22(14-17)37-13-12-36-21)26(32)27(33)30(24)10-3-9-29-11-8-28-16-29/h4-8,11,14-16,24,31H,3,9-10,12-13H2,1-2H3/b25-23+InChIKey
UUYNPQDUNKGNQR-WJTDDFOZSA-NSynonyms
618411-61-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(25DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(25DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
618411613
COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5
COc1ccc(c(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1)OC
InChI=1SC27H27N3O7c134185720(352)19(1518)2423(25(31)17462122(1417)3713123621)26(32)27(33)30(24)103929118281629h481114162431H39101213H212H3b2523+
MFCD18248218
ZINC000102872164
ZINC000102872166
Check stock
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Check stock on Vitas-MAvailable files
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