Vitas-M small molecule compound
6-{[(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}-4-hydroxyquinoline-3-carboxylic acid
Catalog ID
STL551396
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)c(O)c(cn2)C(=O)O)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 C26H21ClN2O8 MW 524.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O8/c1-11-6-13(29-12-4-5-16-14(7-12)22(31)15(10-28-16)25(33)34)8-19(30)26(11)24(32)20-17(35-2)9-18(36-3)21(27)23(20)37-26/h4-5,7-11,29H,6H2,1-3H3,(H,28,31)(H,33,34)/t11-,26+/m1/s1InChIKey
LLEGLPQFSAKRJO-QYOLQKOISA-NSynonyms
125429764
6(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4hydroxyquinoline3carboxylicacid
6(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4oxo1~(H)quinoline3carboxylicacid
6(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4hydroxyquinoline3carboxylicacid
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)c(O)c(cn2)C(=O)O)Cl
InChI=1SC26H21ClN2O8c111613(2912451614(712)22(31)15(102816)25(33)34)819(30)26(11)24(32)2017(352)918(363)21(27)23(20)3726h4571129H6H213H3(H2831)(H3334)t1126+m1s1
ZINC000524731151
ZINC524731151
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