Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[(2-oxo-2H-chromen-6-yl)amino]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549348
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)ccc(=O)o2)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 C25H20ClNO7 MW 481.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClNO7/c1-12-8-15(27-14-5-6-16-13(9-14)4-7-20(29)33-16)10-19(28)25(12)24(30)21-17(31-2)11-18(32-3)22(26)23(21)34-25/h4-7,9-12,27H,8H2,1-3H3/t12-,25+/m1/s1InChIKey
XUXNARWXASCNDU-YDBLSZJJSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2oxo2Hchromen6yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((2oxochromen6yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((2oxo2Hchromen6yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430723
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)ccc(=O)o2)Cl
InChI=1SC25H20ClNO7c112815(2714561613(914)4720(29)3316)1019(28)25(12)24(30)2117(312)1118(323)22(26)23(21)3425h4791227H8H213H3t1225+m1s1
ZINC000524732110
ZINC524732110
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