Vitas-M small molecule compound
(2S,8'R)-2'-amino-7-chloro-4'-hydroxy-5'-(4-hydroxyphenyl)-4,6-dimethoxy-8'-methyl-5',8',9',10'-tetrahydro-3H,6'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-3,6'-dione
Catalog ID
STL552472
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(cc1)O)c1c(N2)nc(nc1O)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 C27H23ClN4O7 MW 550.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O7/c1-10-8-13-17(16(11-4-6-12(33)7-5-11)19-24(30-13)31-26(29)32-25(19)36)22(34)27(10)23(35)18-14(37-2)9-15(38-3)20(28)21(18)39-27/h4-7,9-10,16,33H,8H2,1-3H3,(H4,29,30,31,32,36)/t10-,16?,27+/m1/s1InChIKey
XMGBKLQNIDTMQI-VWXHWENSSA-NSynonyms
(2~(S)8~(R))2amino7chloro5(4hydroxyphenyl)46dimethoxy8methylspiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)346trione
(2S8R)2amino7chloro4hydroxy5(4hydroxyphenyl)46dimethoxy8methyl58910tetrahydro3H6Hspiro(1benzofuran27pyrimido(45b)quinoline)36dione
135640704
InChI=1SC27H23ClN4O7c11081317(16(114612(33)7511)1924(3013)3126(29)3225(19)36)22(34)27(10)23(35)1814(372)915(383)20(28)21(18)3927h479101633H8H213H3(H42930313236)t1016?27+m1s1
ZINC001547139669
ZINC001547139670
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