Vitas-M small molecule compound

4-acetyl-5-(4-hydroxy-3-methoxyphenyl)-2-oxo-1-(pyridinium-3-ylmethyl)-2,5-dihydro-1H-pyrrol-3-olate

Catalog ID
STL528600
SMILES COc1cc(ccc1O)C1N(Cc2ccc[nH+]c2)C(=O)C(=C1C(=O)C)[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 C19H18N2O5 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5/c1-11(22)16-17(13-5-6-14(23)15(8-13)26-2)21(19(25)18(16)24)10-12-4-3-7-20-9-12/h3-9,17,23-24H,10H2,1-2H3
InChIKey
WKOXXIPBHZBCKM-UHFFFAOYSA-N
Synonyms
335403-04-8
335403048
3410720
3acetyl2(4hydroxy3methoxyphenyl)5oxo1(pyridin1ium3ylmethyl)2~(H)pyrrol4olate
3ACETYL2(4HYDROXY3METHOXYPHENYL)5OXO1(PYRIDIN1IUM3YLMETHYL)2HPYRROL4OLATE
4acetyl5(4hydroxy3methoxyphenyl)2oxo1(pyridinium3ylmethyl)25dihydro1Hpyrrol3olate
InChI=1SC19H18N2O5c111(22)1617(135614(23)15(813)262)21(19(25)18(16)24)101243720912h39172324H10H212H3
MFCD02733365
ZINC000000870973
ZINC000000870974

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Available files

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