Vitas-M small molecule compound
7-chloro-4'-{[3-(4-hydroxy-6-methylpyrimidin-2-yl)phenyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549605
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1cccc(c1)c1nc(C)cc(n1)O)Cl
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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 C27H24ClN3O6 MW 521.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O6/c1-13-8-17(30-16-7-5-6-15(10-16)26-29-14(2)9-21(33)31-26)11-20(32)27(13)25(34)22-18(35-3)12-19(36-4)23(28)24(22)37-27/h5-7,9-13,30H,8H2,1-4H3,(H,29,31,33)InChIKey
BMQOSNNNJWQKSG-UHFFFAOYSA-NSynonyms
135639834
7chloro4((3(4hydroxy6methylpyrimidin2yl)phenyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
7chloro46dimethoxy5methyl3(3(4methyl6oxo1~(H)pyrimidin2yl)anilino)spiro(1benzofuran26cyclohex2ene)13dione
InChI=1SC27H24ClN3O6c113817(301675615(1016)262914(2)921(33)3126)1120(32)27(13)25(34)2218(353)1219(364)23(28)24(22)3727h5791330H8H214H3(H293133)
MFCD31757088
ZINC000524731553
ZINC000888089727
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