Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-({[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549895
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCc1onc(n1)c1ccco1)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 C23H20ClN3O7 MW 485.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O7/c1-11-7-12(25-10-17-26-22(27-34-17)13-5-4-6-32-13)8-16(28)23(11)21(29)18-14(30-2)9-15(31-3)19(24)20(18)33-23/h4-6,8-9,11,25H,7,10H2,1-3H3/t11-,23+/m1/s1InChIKey
ZPLZHTGZLFOPCK-BGJPBQGDSA-NSynonyms
(1S6R)7chloro4(((3(furan2yl)124oxadiazol5yl)methyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((3(furan2yl)124oxadiazol5yl)methylamino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4(((3(furan2yl)124oxadiazol5yl)methyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253062
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1onc(n1)c1ccco1)Cl
InChI=1SC23H20ClN3O7c111712(2510172622(273417)135463213)816(28)23(11)21(29)1814(302)915(313)19(24)20(18)3323h46891125H710H213H3t1123+m1s1
ZINC000604406260
ZINC604406260
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