Vitas-M small molecule compound
3-cyclohexyl-2-ethyl-11-(4-methoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL330527
SMILES COc1ccc(cc1)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C1CCCCC1
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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 C27H27N5O2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2/c1-3-22-30-25-23(27(33)31(22)17-9-5-4-6-10-17)24-26(29-21-12-8-7-11-20(21)28-24)32(25)18-13-15-19(34-2)16-14-18/h7-8,11-17H,3-6,9-10H2,1-2H3InChIKey
FTLOGRJIEURNGC-UHFFFAOYSA-NSynonyms
3cyclohexyl2ethyl11(4methoxyphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3cyclohexyl2ethyl11(4methoxyphenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OC)C(=O)N1C6CCCCC6
InChI=1SC27H27N5O2c1322302523(27(33)31(22)1795461017)2426(292112871120(21)2824)32(25)18131519(342)161418h781117H36910H212H3
MFCD02995849
ZINC000002304153
ZINC02304153
ZINC2304153
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