Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[(2-methylquinolin-8-yl)amino]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL549568
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1cccc2c1nc(C)cc2)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 C26H23ClN2O5 MW 478.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O5/c1-13-10-16(29-17-7-5-6-15-9-8-14(2)28-23(15)17)11-20(30)26(13)25(31)21-18(32-3)12-19(33-4)22(27)24(21)34-26/h5-9,11-13,29H,10H2,1-4H3/t13-,26+/m1/s1InChIKey
VUDOQGDRZWBLPP-SRGMZFCMSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2methylquinolin8yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3((2methylquinolin8yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((2methylquinolin8yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
125430007
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1cccc2c1nc(C)cc2)Cl
InChI=1SC26H23ClN2O5c1131016(2917756159814(2)2823(15)17)1120(30)26(13)25(31)2118(323)1219(334)22(27)24(21)3426h59111329H10H214H3t1326+m1s1
ZINC000524731394
ZINC524731394
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