Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL042044
SMILES CCOc1cc(ccc1OCC)C1/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 C29H31N3O7 MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O7/c1-3-36-21-8-6-19(16-23(21)37-4-2)26-25(27(33)20-7-9-22-24(17-20)39-15-14-38-22)28(34)29(35)32(26)12-5-11-31-13-10-30-18-31/h6-10,13,16-18,26,33H,3-5,11-12,14-15H2,1-2H3/b27-25+InChIKey
MKGVCCGIBQTQEN-IMVLJIQESA-NSynonyms
578758-90-4(4E)5(34DIETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
578758904
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC29H31N3O7c1336218619(1623(21)3742)2625(27(33)20792224(1720)3915143822)28(34)29(35)32(26)12511311310301831h6101316182633H3511121415H212H3b2725+
MFCD18248135
ZINC000102868995
ZINC000102868997
Check stock
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