Vitas-M small molecule compound
2-(3-{(1E)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK186114
SMILES N#C/C(=C\c1cc(n(c1C)c1ccccc1C(=O)O)C)/C(=O)Nc1ccc(cc1)Cl
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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 C23H18ClN3O3 MW 419.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O3/c1-14-11-16(15(2)27(14)21-6-4-3-5-20(21)23(29)30)12-17(13-25)22(28)26-19-9-7-18(24)8-10-19/h3-12H,1-2H3,(H,26,28)(H,29,30)/b17-12+InChIKey
UFXNXPYSNUBHPZ-SFQUDFHCSA-NSynonyms
2(3((1E)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2(3((E)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)Cl
InChI=1SC23H18ClN3O3c1141116(15(2)27(14)21643520(21)23(29)30)1217(1325)22(28)26199718(24)81019h312H12H3(H2628)(H2930)b1712+
MFCD02623842
N#CC(=Cc1cc(n(c1C)c1ccccc1C(=O)O)C)C(=O)Nc1ccc(cc1)Cl
ZINC000015012469
ZINC15012469
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