Vitas-M small molecule compound
3-{4-[(3-carboxyphenyl)amino]-2-(ethoxycarbonyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK550987
SMILES CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)C(=O)O)Nc1cccc(c1)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(23-15-8-4-6-13(10-15)19(26)27)18(25)24(22)16-9-5-7-14(11-16)20(28)29/h4-12,23H,3H2,1-2H3,(H,26,27)(H,28,29)InChIKey
WZJZGTFQLJFBRA-UHFFFAOYSA-NSynonyms
459153-01-63((1(3carboxyphenyl)5(ethoxycarbonyl)5methyl2oxo25dihydro1Hpyrrol3yl)amino)benzoicacid
3((1(3CARBOXYPHENYL)5ETHOXYCARBONYL5METHYL2OXOPYRROL3YL)AMINO)BENZOICACID
3(4((3carboxyphenyl)amino)2(ethoxycarbonyl)2methyl5oxo25dihydro1Hpyrrol1yl)benzoicacid
459153016
CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O)C
InChI=1SC22H20N2O7c133121(30)22(2)1217(231584613(1015)19(26)27)18(25)24(22)1695714(1116)20(28)29h41223H3H212H3(H2627)(H2829)
MFCD02157593
ZINC000001836193
ZINC000001836194
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