Vitas-M small molecule compound
(5E)-6-hydroxy-3-(2-methoxyphenyl)-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL513703
SMILES COc1ccccc1N1C(=O)N=C(/C(=C\c2c(=O)oc3c(c2C)cc2c4c3CCCN4CCC2)/C1=O)O
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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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-15-18-13-16-7-5-11-30-12-6-8-17(23(16)30)24(18)37-27(34)19(15)14-20-25(32)29-28(35)31(26(20)33)21-9-3-4-10-22(21)36-2/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,29,32,35)/b20-14+InChIKey
PYGRYQAIXOFDBB-XSFVSMFZSA-NSynonyms
(5~(E))1(2methoxyphenyl)5((6methyl4oxo3oxa13azatetracyclo(7710^(27)0^(1317))heptadeca1(17)2(7)58tetraen5yl)methylidene)13diazinane246trione
(5E)6hydroxy3(2methoxyphenyl)5((9methyl11oxo2367tetrahydro1H5H11Hpyrano(23f)pyrido(321ij)quinolin10yl)methylidene)pyrimidine24(3H5H)dione
1759853
InChI=1SC28H25N3O6c115181316751130126817(23(16)30)24(18)3727(34)19(15)142025(32)2928(35)31(26(20)33)219341022(21)362h349101314H581112H212H3(H293235)b2014+
MFCD03266944
ZINC000008741180
ZINC8741180
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