Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STL043966
SMILES COc1cc(ccc1OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccccc1)/[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-32-20-10-9-19(17-21(20)33-2)23-22(24(29)18-7-4-3-5-8-18)25(30)26(31)28(23)12-6-11-27-13-15-34-16-14-27/h3-5,7-10,17,23,29H,6,11-16H2,1-2H3/b24-22+InChIKey
OXMSXEMFJCKVEQ-ZNTNEXAZSA-NSynonyms
(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
COC1=C(C=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4CCOCC4)OC
COc1cc(ccc1OC)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccccc1)(O)
InChI=1SC26H30N2O6c1322010919(1721(20)332)2322(24(29)187435818)25(30)26(31)28(23)1261127131534161427h35710172329H61116H212H3b2422+
MFCD18248325
ZINC000102873966
ZINC000102873968
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