Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK568655
SMILES CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C35H35N3O6 MW 593.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O6/c1-3-42-30-20-25(10-13-29(30)43-21-24-8-5-4-6-9-24)32-31(33(39)26-11-12-28-27(19-26)18-23(2)44-28)34(40)35(41)38(32)16-7-15-37-17-14-36-22-37/h4-6,8-14,17,19-20,22-23,32,39H,3,7,15-16,18,21H2,1-2H3/b33-31+InChIKey
XINQQCBPBZFJNY-QOSDPKFLSA-NSynonyms
(E)(2(4(benzyloxy)3ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
MFCD18245244
ZINC000102553433
ZINC000102652792
Check stock
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