Vitas-M small molecule compound

(E)-{2-(4-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
STK564260
SMILES COc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[O-]

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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/c1-17-15-20-16-19(5-8-22(20)35-17)25(30)23-24(18-3-6-21(33-2)7-4-18)29(27(32)26(23)31)10-9-28-11-13-34-14-12-28/h3-8,16-17,24,30H,9-15H2,1-2H3/b25-23+
InChIKey
AVLILEZRXWCJFP-WJTDDFOZSA-N
Synonyms

(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
3HYDROXY5(4METHOXYPHENYL)4((2METHYL23DIHYDRO1BENZOFURAN5YL)CARBONYL)1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)OC)(O)
COc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC27H30N2O6c11715201619(5822(20)3517)25(30)2324(183621(332)7418)29(27(32)26(23)31)10928111334141228h3816172430H915H212H3b2523+
MFCD18244494
ZINC000102526798
ZINC000102648036

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Available files

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