Vitas-M small molecule compound
11-(4-ethoxyphenyl)-2-ethyl-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990713
SMILES CCOc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(CC)n(c2=O)CC1CCCO1
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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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-22-30-25-23(27(33)31(22)16-19-8-7-15-35-19)24-26(29-21-10-6-5-9-20(21)28-24)32(25)17-11-13-18(14-12-17)34-4-2/h5-6,9-14,19H,3-4,7-8,15-16H2,1-2H3InChIKey
HEUPSWYUAQZUJJ-UHFFFAOYSA-NSynonyms
11(4ethoxyphenyl)2ethyl3(tetrahydrofuran2ylmethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OCC)C(=O)N1CC6CCCO6
InChI=1SC27H27N5O3c1322302523(27(33)31(22)161987153519)2426(29211065920(21)2824)32(25)17111318(141217)3442h5691419H34781516H212H3
MFCD07801654
ZINC000006150865
ZINC000006150866
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