Vitas-M small molecule compound
4-[(4-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,6-diiodophenoxy)methyl]benzoic acid
Catalog ID
STK182960
SMILES N#C/C(=C\c1cc(I)c(c(c1)I)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)F
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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 C24H15FI2N2O4 MW 668.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15FI2N2O4/c25-18-5-7-19(8-6-18)29-23(30)17(12-28)9-15-10-20(26)22(21(27)11-15)33-13-14-1-3-16(4-2-14)24(31)32/h1-11H,13H2,(H,29,30)(H,31,32)/b17-9+InChIKey
JBSYWZQEVPFFFR-RQZCQDPDSA-NSynonyms
4((4((1E)2CYANO3((4FLUOROPHENYL)AMINO)3OXOPROP1EN1YL)26DIIODOPHENOXY)METHYL)BENZOICACID
4((4((E)2cyano3(4fluoroanilino)3oxoprop1enyl)26diiodophenoxy)methyl)benzoicacid
C1=CC(=CC=C1COC2=C(C=C(C=C2I)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)I)C(=O)O
InChI=1SC24H15FI2N2O4c25185719(8618)2923(30)17(1228)9151020(26)22(21(27)1115)3313141316(4214)24(31)32h111H13H2(H2930)(H3132)b179+
MFCD02628854
N#CC(=Cc1cc(I)c(c(c1)I)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)F
ZINC000097960737
ZINC97960737
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