Vitas-M small molecule compound
ethyl 4-[3-(2-chlorobenzyl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STL225874
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)Cc1ccccc1Cl
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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 C29H22ClN5O3 MW 523.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN5O3/c1-3-38-29(37)18-12-14-20(15-13-18)35-26-24(25-27(35)33-23-11-7-6-10-22(23)32-25)28(36)34(17(2)31-26)16-19-8-4-5-9-21(19)30/h4-15H,3,16H2,1-2H3InChIKey
BYRJUEHQPFTVJN-UHFFFAOYSA-NSynonyms
799828-82-3799828823
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC6=CC=CC=C6Cl
ethyl4(3(2chlorobenzyl)2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3(2chlorobenzyl)2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC29H22ClN5O3c133829(37)18121420(151318)352624(2527(35)332311761022(23)3225)28(36)34(17(2)3126)1619845921(19)30h415H316H212H3
MFCD03683802
ZINC000002240698
ZINC2240698
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