Vitas-M small molecule compound
3-(5-{(1E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK186331
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(=O)O)/C(=O)Nc1cccc(c1)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 C22H16N2O4 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O4/c1-14-4-2-7-18(10-14)24-21(25)17(13-23)12-19-8-9-20(28-19)15-5-3-6-16(11-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b17-12+InChIKey
IXPVBZFXBMLAQO-SFQUDFHCSA-NSynonyms
3(5((1E)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
3(5((E)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N
InChI=1SC22H16N2O4c11442718(1014)2421(25)17(1323)12198920(2819)1553616(1115)22(26)27h212H1H3(H2425)(H2627)b1712+
MFCD01829638
N#CC(=Cc1ccc(o1)c1cccc(c1)C(=O)O)C(=O)Nc1cccc(c1)C
ZINC000002855362
ZINC2855362
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