Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-({[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549454
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCc1noc(n1)C1CCC(=O)N1)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 C23H23ClN4O7 MW 502.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O7/c1-10-6-11(25-9-16-27-22(35-28-16)12-4-5-17(30)26-12)7-15(29)23(10)21(31)18-13(32-2)8-14(33-3)19(24)20(18)34-23/h7-8,10,12,25H,4-6,9H2,1-3H3,(H,26,30)/t10-,12?,23+/m1/s1InChIKey
KAHHMZOYJTZOQM-AATJGMJZSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4(((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((5(5oxopyrrolidin2yl)124oxadiazol3yl)methylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253564
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCc1noc(n1)C1CCC(=O)N1)Cl
InChI=1SC23H23ClN4O7c110611(259162722(352816)124517(30)2612)715(29)23(10)21(31)1813(322)814(333)19(24)20(18)3423h78101225H469H213H3(H2630)t1012?23+m1s1
ZINC000604404127
ZINC000604404129
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