Vitas-M small molecule compound
(E)-{2-(3-hydroxyphenyl)-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
STL046371
SMILES Oc1cccc(c1)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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-17-14-20-15-19(6-7-22(20)35-17)25(31)23-24(18-4-2-5-21(30)16-18)29(27(33)26(23)32)9-3-8-28-10-12-34-13-11-28/h2,4-7,15-17,24,30-31H,3,8-14H2,1H3/b25-23+InChIKey
KQDQDXRVGYGMCI-WJTDDFOZSA-NSynonyms
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3HYDROXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC(=CC=C5)O)(O)
InChI=1SC27H30N2O6c11714201519(6722(20)3517)25(31)2324(1842521(30)1618)29(27(33)26(23)32)93828101234131128h2471517243031H3814H21H3b2523+
MFCD18248834
Oc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
ZINC000102880991
ZINC000102881000
Check stock
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Check stock on Vitas-MAvailable files
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