Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-[(2,6-difluorophenyl)amino]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550492
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1c(F)cccc1F)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 C22H18ClF2NO5 MW 449.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClF2NO5/c1-10-7-11(26-19-12(24)5-4-6-13(19)25)8-16(27)22(10)21(28)17-14(29-2)9-15(30-3)18(23)20(17)31-22/h4-6,8-10,26H,7H2,1-3H3/t10-,22+/m1/s1InChIKey
YFKTYKJHPJIPJJ-STFLBKPXSA-NSynonyms
(1S6R)7chloro4((26difluorophenyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(26difluoroanilino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((26difluorophenyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430060
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1c(F)cccc1F)Cl
InChI=1SC22H18ClF2NO5c110711(261912(24)54613(19)25)816(27)22(10)21(28)1714(292)915(303)18(23)20(17)3122h4681026H7H213H3t1022+m1s1
ZINC000524731447
ZINC524731447
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