Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){2-(3,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK566766
SMILES COc1cc(ccc1OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)OC)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 C27H32N2O8 MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O8/c1-33-19-7-5-17(15-21(19)35-3)24-23(25(30)18-6-8-20(34-2)22(16-18)36-4)26(31)27(32)29(24)10-9-28-11-13-37-14-12-28/h5-8,15-16,24,30H,9-14H2,1-4H3/b25-23+
InChIKey
IJHIWSJILARESS-WJTDDFOZSA-N
Synonyms
615276-15-8
(4E)5(34DIMETHOXYPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(2(34dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(2(34DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
5(34DIMETHOXYPHENYL)4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
615276158
COC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)O)C(=O)C(=O)N2CCN4CCOCC4)OC
COc1cc(ccc1OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)OC)OC)(O)
InChI=1SC27H32N2O8c133197517(1521(19)353)2423(25(30)186820(342)22(1618)364)26(31)27(32)29(24)10928111337141228h5815162430H914H214H3b2523+
MFCD18245095
ZINC000008988276
ZINC000008988281

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Available files

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