Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-(tetrahydrofuran-2-yl)-1H-benzimidazol-5-yl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551559
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc2c(c1)nc([nH]2)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 C27H26ClN3O6 MW 523.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O6/c1-13-9-15(29-14-6-7-16-17(10-14)31-26(30-16)18-5-4-8-36-18)11-21(32)27(13)25(33)22-19(34-2)12-20(35-3)23(28)24(22)37-27/h6-7,10-13,18,29H,4-5,8-9H2,1-3H3,(H,30,31)InChIKey
OJLKJYVLORBCQI-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2(tetrahydrofuran2yl)1Hbenzo(d)imidazol6yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
132285864
7chloro46dimethoxy5methyl3((2(oxolan2yl)3~(H)benzimidazol5yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((2(tetrahydrofuran2yl)1Hbenzimidazol5yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)(nH)c(n2)C1CCCO1)Cl
InChI=1SC27H26ClN3O6c113915(2914671617(1014)3126(3016)185483618)1121(32)27(13)25(33)2219(342)1220(353)23(28)24(22)3727h6710131829H4589H213H3(H3031)
MFCD31758205
ZINC000888088727
ZINC000888088730
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