Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL047622
SMILES COc1c(OC)cccc1C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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/c1-17-16-18(33-2)8-9-19(17)24(30)22-23(20-6-5-7-21(34-3)26(20)35-4)29(27(32)25(22)31)11-10-28-12-14-36-15-13-28/h5-9,16,23,30H,10-15H2,1-4H3/b24-22+InChIKey
GGPIEZAUIZWJPT-ZNTNEXAZSA-NSynonyms
(4E)5(23DIMETHOXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=C(C(=CC=C4)OC)OC)(O)
COc1c(OC)cccc1C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC27H32N2O7c1171618(332)8919(17)24(30)2223(2065721(343)26(20)354)29(27(32)25(22)31)111028121436151328h59162330H1015H214H3b2422+
MFCD18249104
ZINC000102882727
ZINC000102882729
Check stock
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Check stock on Vitas-MAvailable files
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