Vitas-M small molecule compound
4-{2-(ethoxycarbonyl)-4-[(4-hydroxyphenyl)ammonio]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenolate
Catalog ID
STK564123
SMILES CCOC(=O)C1(C)C=C(C(=O)N1c1ccc(cc1)[O-])[NH2+]c1ccc(cc1)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 C20H20N2O5 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5/c1-3-27-19(26)20(2)12-17(21-13-4-8-15(23)9-5-13)18(25)22(20)14-6-10-16(24)11-7-14/h4-12,21,23-24H,3H2,1-2H3InChIKey
GQTKDEAAWUJLJN-UHFFFAOYSA-NSynonyms
329368-32-34(2(ethoxycarbonyl)4((4hydroxyphenyl)ammonio)2methyl5oxo25dihydro1Hpyrrol1yl)phenolate
4(2ETHOXYCARBONYL4((4HYDROXYPHENYL)AZANIUMYL)2METHYL5OXOPYRROL1YL)PHENOLATE
CCOC(=O)C1(C)C=C(C(=O)N1c1ccc(cc1)(O))(NH2+)c1ccc(cc1)O
CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)O)NC3=CC=C(C=C3)O)C
ETHYL(2S)1(4HYDROXYPHENYL)4((4HYDROXYPHENYL)AMINO)2METHYL5OXO25DIHYDRO1HPYRROLE2CARBOXYLATE
ETHYL1(4HYDROXYPHENYL)4((4HYDROXYPHENYL)AMINO)2METHYL5OXO25DIHYDRO1HPYRROLE2CARBOXYLATE
ethyl4(4hydroxyanilino)1(4hydroxyphenyl)2methyl5oxopyrrole2carboxylate
InChI=1SC20H20N2O5c132719(26)20(2)1217(21134815(23)9513)18(25)22(20)1461016(24)11714h412212324H3H212H3
MFCD00823091
ZINC000001743784
ZINC000001743787
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