Vitas-M small molecule compound
4-(5-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK183213
SMILES N#C/C(=C/c1ccc(o1)c1ccc(cc1)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/c1-14-3-2-4-18(11-14)24-21(25)17(13-23)12-19-9-10-20(28-19)15-5-7-16(8-6-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b17-12-InChIKey
XLRLFILWODKAJE-ATVHPVEESA-NSynonyms
4(5((1Z)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
4(5((Z)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOICACID
CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC22H16N2O4c11432418(1114)2421(25)17(1323)121991020(2819)155716(8615)22(26)27h212H1H3(H2425)(H2627)b1712
MFCD01829573
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)C(=O)Nc1cccc(c1)C
ZINC000004723206
ZINC4723206
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