Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[3-(trifluoromethoxy)phenyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551165
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc(c1)OC(F)(F)F)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 C23H19ClF3NO6 MW 497.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClF3NO6/c1-11-7-13(28-12-5-4-6-14(8-12)33-23(25,26)27)9-17(29)22(11)21(30)18-15(31-2)10-16(32-3)19(24)20(18)34-22/h4-6,8-11,28H,7H2,1-3H3/t11-,22+/m1/s1InChIKey
XDOIYQKFSFCSMK-XFNZEKPQSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((3(trifluoromethoxy)phenyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(trifluoromethoxy)anilino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((3(trifluoromethoxy)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125429391
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc(c1)OC(F)(F)F)Cl
InChI=1SC23H19ClF3NO6c111713(281254614(812)3323(2526)27)917(29)22(11)21(30)1815(312)1016(323)19(24)20(18)3422h4681128H7H213H3t1122+m1s1
ZINC000524730778
ZINC524730778
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