Vitas-M small molecule compound

3-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoic acid

Catalog ID
STK759077
SMILES CCOC(=O)C1(C)C=C(C(=O)N1c1ccccc1)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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-3-28-20(27)21(2)13-17(18(24)23(21)16-10-5-4-6-11-16)22-15-9-7-8-14(12-15)19(25)26/h4-13,22H,3H2,1-2H3,(H,25,26)
InChIKey
KIFNHVWJZBJDNX-UHFFFAOYSA-N
Synonyms
496809-38-2
3((5(ethoxycarbonyl)5methyl2oxo1phenyl25dihydro1Hpyrrol3yl)amino)benzoicacid
3((5ETHOXYCARBONYL5METHYL2OXO1PHENYLPYRROL3YL)AMINO)BENZOICACID
3((5ETHOXYCARBONYL5METHYL2OXO1PHENYLPYRROL3YL)AZANIUMYL)BENZOATE
496809382
CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)(NH2+)C3=CC=CC(=C3)C(=O)(O))C
InChI=1SC21H20N2O5c132820(27)21(2)1317(18(24)23(21)16105461116)221597814(1215)19(25)26h41322H3H212H3(H2526)
MFCD01460697
ZINC000002342223
ZINC000002342225

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Available files

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