Vitas-M small molecule compound
butyl 2-chloro-5-{5-[(Z)-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL380963
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=O)N=C(C(=C1C)C#N)O
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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 C23H19ClN2O5 MW 438.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O5/c1-3-4-9-30-23(29)17-10-14(5-7-19(17)24)20-8-6-15(31-20)11-16-13(2)18(12-25)22(28)26-21(16)27/h5-8,10-11H,3-4,9H2,1-2H3,(H,26,27,28)/b16-11-InChIKey
YXUNQTOSZNFAKU-WJDWOHSUSA-NSynonyms
butyl2chloro5(5((Z)(5cyano4methyl26dioxopyridin3ylidene)methyl)furan2yl)benzoate
butyl2chloro5(5((Z)(5cyano6hydroxy4methyl2oxopyridin3(2H)ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=C(C(=O)NC3=O)C#N)C)Cl
CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)N=C(C(=C1C)C#N)O
InChI=1SC23H19ClN2O5c13493023(29)171014(5719(17)24)208615(3120)111613(2)18(1225)22(28)2621(16)27h581011H349H212H3(H262728)b1611
MFCD03307492
ZINC000027551153
ZINC27551153
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