Vitas-M small molecule compound

2-chloro-5-(5-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid

Catalog ID
STK696660
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/C(=O)Nc1ccc(c(c1)C)C

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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 C23H17ClN2O4 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4/c1-13-3-5-17(9-14(13)2)26-22(27)16(12-25)10-18-6-8-21(30-18)15-4-7-20(24)19(11-15)23(28)29/h3-11H,1-2H3,(H,26,27)(H,28,29)/b16-10+
InChIKey
YCDWMHBQBXKUHW-MHWRWJLKSA-N
Synonyms

2chloro5(5((1E)2cyano3((34dimethylphenyl)amino)3oxoprop1en1yl)furan2yl)benzoicacid
2CHLORO5(5((E)2CYANO3(34DIMETHYLANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N)C
InChI=1SC23H17ClN2O4c1133517(914(13)2)2622(27)16(1225)10186821(3018)154720(24)19(1115)23(28)29h311H12H3(H2627)(H2829)b1610+
MFCD01461118
N#CC(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)C(=O)Nc1ccc(c(c1)C)C
ZINC000008606325
ZINC8606325

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Available files

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