Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-3-methoxyphenyl]-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
STL057095
SMILES COc1cc(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 C34H33N3O6 MW 579.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O6/c1-22-17-26-18-25(10-11-27(26)43-22)32(38)30-31(37(34(40)33(30)39)15-6-14-36-16-13-35-21-36)24-9-12-28(29(19-24)41-2)42-20-23-7-4-3-5-8-23/h3-5,7-13,16,18-19,21-22,31,38H,6,14-15,17,20H2,1-2H3/b32-30+InChIKey
NFRFIHANKJLNQM-NHQGMKOOSA-NSynonyms
893696-04-3(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(3imidazol1ylpropyl)5(3methoxy4phenylmethoxyphenyl)pyrrolidine23dione
(E)(2(4(benzyloxy)3methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
893696043
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)O
COc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC34H33N3O6c12217261825(101127(26)4322)32(38)3031(37(34(40)33(30)39)15614361613352136)2491228(29(1924)412)4220237435823h3571316181921223138H614151720H212H3b3230+
MFCD18249788
ZINC000102896554
ZINC000102896560
Check stock
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Check stock on Vitas-MAvailable files
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