Vitas-M small molecule compound
(E)-{2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL050271
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C28H32N2O6 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6/c1-18-16-21-17-20(6-9-23(21)36-18)26(31)24-25(19-4-7-22(34-2)8-5-19)30(28(33)27(24)32)11-3-10-29-12-14-35-15-13-29/h4-9,17-18,25,31H,3,10-16H2,1-2H3/b26-24+InChIKey
IBAIFRTWNLPPIE-SHHOIMCASA-NSynonyms
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)OC)O
COc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H32N2O6c11816211720(6923(21)3618)26(31)2425(194722(342)8519)30(28(33)27(24)32)1131029121435151329h4917182531H31016H212H3b2624+
MFCD18249320
ZINC000102886486
ZINC000102886493
Check stock
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