Vitas-M small molecule compound
4-{4-[(4-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK546708
SMILES CCOC(=O)C1(C)C=C(C(=O)N1c1ccc(cc1)C(=O)O)Nc1ccc(cc1)C(=O)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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-3-31-21(30)22(2)12-17(23-15-8-4-13(5-9-15)19(26)27)18(25)24(22)16-10-6-14(7-11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)InChIKey
REUGHDHYYLBUBX-UHFFFAOYSA-NSynonyms
959551-98-54((1(4carboxyphenyl)5(ethoxycarbonyl)5methyl2oxo25dihydro1Hpyrrol3yl)amino)benzoicacid
4((1(4CARBOXYPHENYL)5ETHOXYCARBONYL5METHYL2OXOPYRROL3YL)AMINO)BENZOICACID
4(4((4carboxyphenyl)amino)2(ethoxycarbonyl)2methyl5oxo25dihydro1Hpyrrol1yl)benzoicacid
959551985
CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C
InChI=1SC22H20N2O7c133121(30)22(2)1217(23158413(5915)19(26)27)18(25)24(22)1610614(71116)20(28)29h41223H3H212H3(H2627)(H2829)
MFCD02157594
ZINC000002348984
ZINC000002348985
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