Vitas-M small molecule compound
(1Z,2E)-1-{2-(4-hydroxy-3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Catalog ID
STK589148
SMILES COc1cc(ccc1O)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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/c1-34-23-18-20(9-11-21(23)30)25-24(22(31)10-8-19-6-3-2-4-7-19)26(32)27(33)29(25)13-5-12-28-14-16-35-17-15-28/h2-4,6-11,18,25,30-31H,5,12-17H2,1H3/b10-8+,24-22-InChIKey
BKRXNRGMDBNTHG-LCTZOBSXSA-NSynonyms
(1Z2E)1(2(4hydroxy3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)3phenylprop2en1olate
COc1cc(ccc1O)C1C(=C(C=Cc2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD07208400
ZINC000020189455
ZINC000020189460
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