Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK568628
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[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 C27H29BrN2O7 MW 573.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN2O7/c1-15-11-17-12-16(3-4-20(17)37-15)24(31)22-23(18-13-19(28)25(32)21(14-18)35-2)30(27(34)26(22)33)6-5-29-7-9-36-10-8-29/h3-4,12-15,23,31-32H,5-11H2,1-2H3/b24-22+InChIKey
HKOAKEDPBQOQNB-ZNTNEXAZSA-NSynonyms
1203066-13-0(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
1203066130
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)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)N1CC(NH+)1CCOCC1
InChI=1SC27H29BrN2O7c11511171216(3420(17)3715)24(31)2223(181319(28)25(32)21(1418)352)30(27(34)26(22)33)6529793610829h341215233132H511H212H3b2422+
MFCD18245240
ZINC000102553260
ZINC000102652934
Check stock
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Check stock on Vitas-MAvailable files
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