Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-[(4-hydroxy-2-methylquinolin-6-yl)amino]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550288
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccc2c(c1)c(O)cc(n2)C)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 C26H23ClN2O6 MW 494.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O6/c1-12-7-15(29-14-5-6-17-16(9-14)18(30)8-13(2)28-17)10-21(31)26(12)25(32)22-19(33-3)11-20(34-4)23(27)24(22)35-26/h5-6,8-12,29H,7H2,1-4H3,(H,28,30)/t12-,26+/m1/s1InChIKey
XGDNBTDXPJWCJV-RYZVSIALSA-NSynonyms
(1S6R)7chloro4((4hydroxy2methylquinolin6yl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((2methyl4oxo1~(H)quinolin6yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((4hydroxy2methylquinolin6yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125428138
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)c(O)cc(n2)C)Cl
InChI=1SC26H23ClN2O6c112715(2914561716(914)18(30)813(2)2817)1021(31)26(12)25(32)2219(333)1120(344)23(27)24(22)3526h5681229H7H214H3(H2830)t1226+m1s1
ZINC000524729526
ZINC524729526
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