Vitas-M small molecule compound
4-(5-{(1E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK984111
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/C(=O)Nc1ccccc1OC
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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 C22H16N2O5 MW 388.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O5/c1-28-20-5-3-2-4-18(20)24-21(25)16(13-23)12-17-10-11-19(29-17)14-6-8-15(9-7-14)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b16-12+InChIKey
DFXDBDXKORBSLE-FOWTUZBSSA-NSynonyms
4(5((1E)2cyano3((2methoxyphenyl)amino)3oxoprop1en1yl)furan2yl)benzoicacid
4(5((E)2CYANO3(2METHOXYANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
COC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC22H16N2O5c12820532418(20)2421(25)16(1323)1217101119(2917)146815(9714)22(26)27h212H1H3(H2425)(H2627)b1612+
MFCD06325345
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)C(=O)Nc1ccccc1OC
ZINC000004537669
ZINC4537669
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