Vitas-M small molecule compound
(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-phenyl-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
STL552336
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccccc1)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 C27H22ClN3O7 MW 535.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O7/c1-11-9-13-17(16(12-7-5-4-6-8-12)19-24(29-13)30-26(35)31-25(19)34)22(32)27(11)23(33)18-14(36-2)10-15(37-3)20(28)21(18)38-27/h4-8,10-11,16H,9H2,1-3H3,(H3,29,30,31,34,35)/t11-,16?,27+/m1/s1InChIKey
NAFOWZXTXVFKNW-ATIPVWRBSA-NSynonyms
(2~(S)8~(R))7chloro46dimethoxy8methyl5phenylspiro(1benzofuran2758910tetrahydro1~(H)pyrimido(45b)quinoline)2346tetrone
(2S8R)7chloro4hydroxy46dimethoxy8methyl5phenyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)236(1H)trione
135640590
InChI=1SC27H22ClN3O7c11191317(16(127546812)1924(2913)3026(35)3125(19)34)22(32)27(11)23(33)1814(362)1015(373)20(28)21(18)3827h48101116H9H213H3(H32930313435)t1116?27+m1s1
ZINC001547138543
ZINC001547138545
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