Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-({2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl}amino)-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549418
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1csc(n1)NC
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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 C27H26ClN3O6S MW 556.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O6S/c1-13-8-15(30-16-9-14(6-7-18(16)34-3)17-12-38-26(29-2)31-17)10-21(32)27(13)25(33)22-19(35-4)11-20(36-5)23(28)24(22)37-27/h6-7,9-13,30H,8H2,1-5H3,(H,29,31)/t13-,27+/m1/s1InChIKey
DHTGDTSITXBMTF-QWVSSGJLSA-NSynonyms
(1S6R)7chloro46dimethoxy4((2methoxy5(2(methylamino)thiazol4yl)phenyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy3(2methoxy5(2(methylamino)13thiazol4yl)anilino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((2methoxy5(2(methylamino)13thiazol4yl)phenyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253718
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1csc(n1)NC
InChI=1SC27H26ClN3O6Sc113815(3016914(6718(16)343)17123826(292)3117)1021(32)27(13)25(33)2219(354)1120(365)23(28)24(22)3727h6791330H8H215H3(H2931)t1327+m1s1
ZINC000604403913
ZINC604403913
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