Vitas-M small molecule compound
(2S,8'R)-7-chloro-5'-(3-chloro-4-hydroxyphenyl)-4'-hydroxy-4,6-dimethoxy-8'-methyl-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Catalog ID
STL551908
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(c(c1)Cl)O)c1c(N2)[nH]c(=O)nc1O)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 C27H21Cl2N3O8 MW 586.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2N3O8/c1-9-6-12-17(22(34)27(9)23(35)18-14(38-2)8-15(39-3)20(29)21(18)40-27)16(10-4-5-13(33)11(28)7-10)19-24(30-12)31-26(37)32-25(19)36/h4-5,7-9,16,33H,6H2,1-3H3,(H3,30,31,32,36,37)/t9-,16?,27+/m1/s1InChIKey
FPKPGHKDCKWDNY-JKJSPQDZSA-NSynonyms
(2~(S)8~(R))7chloro5(3chloro4hydroxyphenyl)46dimethoxy8methylspiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro5(3chloro4hydroxyphenyl)4hydroxy46dimethoxy8methyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
132352126
InChI=1SC27H21Cl2N3O8c1961217(22(34)27(9)23(35)1814(382)815(393)20(29)21(18)4027)16(104513(33)11(28)710)1924(3012)3126(37)3225(19)36h45791633H6H213H3(H33031323637)t916?27+m1s1
ZINC000824566758
ZINC000824566764
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