Vitas-M small molecule compound
4-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Catalog ID
STK197937
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/C(=O)NCc1ccccc1
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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/c23-13-18(21(25)24-14-15-4-2-1-3-5-15)12-19-10-11-20(28-19)16-6-8-17(9-7-16)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)/b18-12+InChIKey
ONYQGLJUPAGKNL-LDADJPATSA-NSynonyms
(Z)4(5(3(benzylamino)2cyano3oxoprop1en1yl)furan2yl)benzoicacid
4(5((1E)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
4(5((E)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)FURAN2YL)BENZOICACID
C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC22H16N2O4c231318(21(25)2414154213515)1219101120(2819)166817(9716)22(26)27h112H14H2(H2425)(H2627)b1812+
MFCD02190513
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)C(=O)NCc1ccccc1
ZINC000002269319
ZINC2269319
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