Vitas-M small molecule compound
(2S,6'R)-4'-[(5-bromoquinolin-8-yl)amino]-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550561
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(c2c1nccc2)Br)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 C25H20BrClN2O5 MW 543.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O5/c1-12-9-13(29-16-7-6-15(26)14-5-4-8-28-22(14)16)10-19(30)25(12)24(31)20-17(32-2)11-18(33-3)21(27)23(20)34-25/h4-8,10-12,29H,9H2,1-3H3/t12-,25+/m1/s1InChIKey
JQABJDIGTMMLNY-YDBLSZJJSA-NSynonyms
(1S6R)4((5bromoquinolin8yl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3((5bromoquinolin8yl)amino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4((5bromoquinolin8yl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253697
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(c2c1nccc2)Br)Cl
InChI=1SC25H20BrClN2O5c112913(29167615(26)145482822(14)16)1019(30)25(12)24(31)2017(322)1118(333)21(27)23(20)3425h48101229H9H213H3t1225+m1s1
ZINC000604404109
ZINC604404109
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