Vitas-M small molecule compound
2-chloro-4-(5-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK181001
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/C(=O)Nc1ccc(c(c1)Cl)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 C22H14Cl2N2O4 MW 441.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O4/c1-12-2-4-15(10-18(12)23)26-21(27)14(11-25)8-16-5-7-20(30-16)13-3-6-17(22(28)29)19(24)9-13/h2-10H,1H3,(H,26,27)(H,28,29)/b14-8+InChIKey
NDFKHEMNSWZTKL-RIYZIHGNSA-NSynonyms
2CHLORO4(5((1E)3((3CHLORO4METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)FURAN2YL)BENZOICACID
2chloro4(5((E)3(3chloro4methylanilino)2cyano3oxoprop1enyl)furan2yl)benzoicacid
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C#N)Cl
InChI=1SC22H14Cl2N2O4c1122415(1018(12)23)2621(27)14(1125)8165720(3016)133617(22(28)29)19(24)913h210H1H3(H2627)(H2829)b148+
MFCD03729382
N#CC(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)C(=O)Nc1ccc(c(c1)Cl)C
ZINC000009905643
ZINC9905643
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