Vitas-M small molecule compound
3-cyclohexyl-11-(4-ethoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL330458
SMILES CCOc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)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/c1-3-34-20-15-13-19(14-16-20)32-25-23(24-26(32)30-22-12-8-7-11-21(22)29-24)27(33)31(17(2)28-25)18-9-5-4-6-10-18/h7-8,11-16,18H,3-6,9-10H2,1-2H3InChIKey
SEFYGWMBVONWGS-UHFFFAOYSA-NSynonyms
3cyclohexyl11(4ethoxyphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3cyclohexyl11(4ethoxyphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCOC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)C6CCCCC6
InChI=1SC27H27N5O2c133420151319(141620)322523(2426(32)302212871121(22)2924)27(33)31(17(2)2825)1895461018h78111618H36910H212H3
MFCD02995358
ZINC000002303568
ZINC02303568
ZINC2303568
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