Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-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
STK562555
SMILES COc1cc(cc(c1O)Br)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 C28H31BrN2O7 MW 587.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31BrN2O7/c1-16-12-18-13-17(4-5-21(18)38-16)25(32)23-24(19-14-20(29)26(33)22(15-19)36-2)31(28(35)27(23)34)7-3-6-30-8-10-37-11-9-30/h4-5,13-16,24,32-33H,3,6-12H2,1-2H3/b25-23+InChIKey
OCSFWWDTEHCJFO-WJTDDFOZSA-NSynonyms
(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC(=C(C(=C5)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H31BrN2O7c11612181317(4521(18)3816)25(32)2324(191420(29)26(33)22(1519)362)31(28(35)27(23)34)736308103711930h451316243233H3612H212H3b2523+
MFCD18244068
ZINC000102513459
ZINC000102645568
Check stock
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Check stock on Vitas-MAvailable files
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