Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL044958
SMILES COc1cc(ccc1OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-17-15-19(6-7-20(17)33-2)25(30)23-24(18-5-8-21(34-3)22(16-18)35-4)29(27(32)26(23)31)10-9-28-11-13-36-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3/b25-23+InChIKey
WTXDZPJONNSVEH-WJTDDFOZSA-NSynonyms
(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=C(C=C4)OC)OC)(O))OC
COc1cc(ccc1OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC)(O)
InChI=1SC27H32N2O7c1171519(6720(17)332)25(30)2324(185821(343)22(1618)354)29(27(32)26(23)31)10928111336141228h5815162430H914H214H3b2523+
MFCD18248528
ZINC000102877035
ZINC000102877038
Check stock
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Check stock on Vitas-MAvailable files
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