Vitas-M small molecule compound
3-[(2-chloro-4-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK182986
SMILES N#C/C(=C\c1ccc(c(c1)Cl)OCc1cccc(c1)C(=O)O)/C(=O)Nc1cc(Cl)ccc1C
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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 C25H18Cl2N2O4 MW 481.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18Cl2N2O4/c1-15-5-7-20(26)12-22(15)29-24(30)19(13-28)9-16-6-8-23(21(27)11-16)33-14-17-3-2-4-18(10-17)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)/b19-9+InChIKey
WZGVSJKSUNTSBL-DJKKODMXSA-NSynonyms
3((2CHLORO4((1E)3((5CHLORO2METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((2CHLORO4((E)3(5CHLORO2METHYLANILINO)2CYANO3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
3((4((1E)2(N(5CHLORO2METHYLPHENYL)CARBAMOYL)2CYANOVINYL)2CHLOROPHENOXY)METHYL)BENZOICACID
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Cl)C#N
InChI=1SC25H18Cl2N2O4c1155720(26)1222(15)2924(30)19(1328)9166823(21(27)1116)33141732418(1017)25(31)32h212H14H21H3(H2930)(H3132)b199+
MFCD03834879
N#CC(=Cc1ccc(c(c1)Cl)OCc1cccc(c1)C(=O)O)C(=O)Nc1cc(Cl)ccc1C
ZINC000008721942
ZINC8721942
Check stock
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Check stock on Vitas-MAvailable files
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