Vitas-M small molecule compound
4-acetyl-5-(4-hydroxyphenyl)-2-oxo-1-(pyridinium-3-ylmethyl)-2,5-dihydro-1H-pyrrol-3-olate
Catalog ID
STL528330
SMILES Oc1ccc(cc1)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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-11(21)15-16(13-4-6-14(22)7-5-13)20(18(24)17(15)23)10-12-3-2-8-19-9-12/h2-9,16,22-23H,10H2,1H3InChIKey
FNTCWPJIMZGGJG-UHFFFAOYSA-NSynonyms
335403-07-1335403071
3acetyl2(4hydroxyphenyl)5oxo1(pyridin1ium3ylmethyl)2~(H)pyrrol4olate
3ACETYL2(4HYDROXYPHENYL)5OXO1(PYRIDIN1IUM3YLMETHYL)2HPYRROL4OLATE
4acetyl5(4hydroxyphenyl)2oxo1(pyridinium3ylmethyl)25dihydro1Hpyrrol3olate
5128352
InChI=1SC18H16N2O4c111(21)1516(134614(22)7513)20(18(24)17(15)23)101232819912h29162223H10H21H3
MFCD02733368
ZINC000000351083
ZINC000001812785
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