Vitas-M small molecule compound
4-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-3-hydroxybenzenesulfonamide
Catalog ID
STL551159
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc(cc1O)S(=O)(=O)N)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 C22H21ClN2O8S MW 508.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O8S/c1-10-6-11(25-13-5-4-12(8-14(13)26)34(24,29)30)7-17(27)22(10)21(28)18-15(31-2)9-16(32-3)19(23)20(18)33-22/h4-5,7-10,25-26H,6H2,1-3H3,(H2,24,29,30)/t10-,22+/m1/s1InChIKey
MKHHXRNUOLLKEU-STFLBKPXSA-NSynonyms
127252856
4(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)3hydroxybenzenesulfonamide
4(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)3hydroxybenzenesulfonamide
4(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)3hydroxybenzenesulfonamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc(cc1O)S(=O)(=O)N)Cl
InChI=1SC22H21ClN2O8Sc110611(25135412(814(13)26)34(2429)30)717(27)22(10)21(28)1815(312)916(323)19(23)20(18)3322h457102526H6H213H3(H2242930)t1022+m1s1
ZINC000604404941
ZINC604404941
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