Vitas-M small molecule compound
(5Z)-3-hexyl-6-hydroxy-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
STL513721
SMILES CCCCCCN1C(=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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-3-4-5-6-13-30-25(32)21(24(31)28-27(30)34)15-20-16(2)19-14-17-9-7-11-29-12-8-10-18(22(17)29)23(19)35-26(20)33/h14-15H,3-13H2,1-2H3,(H,28,31,34)/b21-15-InChIKey
QGGDNCUFYVGABC-QNGOZBTKSA-NSynonyms
(5~(Z))1hexyl5((6methyl4oxo3oxa13azatetracyclo(7710^(27)0^(1317))heptadeca1(17)2(7)58tetraen5yl)methylidene)13diazinane246trione
(5Z)3hexyl6hydroxy5((9methyl11oxo2367tetrahydro1H5H11Hpyrano(23f)pyrido(321ij)quinolin10yl)methylidene)pyrimidine24(3H5H)dione
1802342
InChI=1SC27H31N3O5c13456133025(32)21(24(31)2827(30)34)152016(2)1914179711291281018(22(17)29)23(19)3526(20)33h1415H313H212H3(H283134)b2115
MFCD03266754
ZINC000008964908
ZINC8964908
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