Vitas-M small molecule compound
(5E)-1-tert-butyl-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-2,4,6(1H,3H,5H)-trione
Catalog ID
STL513913
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1c(=O)oc2c(c1C)cc1c3c2CCCN3CCC1)C(C)(C)C
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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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-13-16-11-14-7-5-9-27-10-6-8-15(19(14)27)20(16)33-23(31)17(13)12-18-21(29)26-24(32)28(22(18)30)25(2,3)4/h11-12H,5-10H2,1-4H3,(H,26,29,32)/b18-12+InChIKey
GGUMEARDDSFIEN-LDADJPATSA-NSynonyms
858744-96-4(5~(E))1~(tert)butyl5((6methyl4oxo3oxa13azatetracyclo(7710^(27)0^(1317))heptadeca1(17)2(7)58tetraen5yl)methylidene)13diazinane246trione
(5E)1tertbutyl5((9methyl11oxo2367tetrahydro1H5H11Hpyrano(23f)pyrido(321ij)quinolin10yl)methylidene)pyrimidine246(1H3H5H)trione
(E)1(tertbutyl)5((9methyl11oxo2356711hexahydro1Hpyrano(23f)pyrido(321ij)quinolin10yl)methylene)pyrimidine246(1H3H5H)trione
1748277
858744964
InChI=1SC25H27N3O5c11316111475927106815(19(14)27)20(16)3323(31)17(13)121821(29)2624(32)28(22(18)30)25(23)4h1112H510H214H3(H262932)b1812+
MFCD03661814
O=C1NC(=O)N(C(=O)C1=Cc1c(=O)oc2c(c1C)cc1c3c2CCCN3CCC1)C(C)(C)C
ZINC000008741232
ZINC8741232
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