Vitas-M small molecule compound
3-(4-chlorobenzyl)-11-(4-methoxybenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990392
SMILES COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)Cc1ccc(cc1)Cl
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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 C28H22ClN5O2 MW 495.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN5O2/c1-17-30-26-24(28(35)33(17)15-18-7-11-20(29)12-8-18)25-27(32-23-6-4-3-5-22(23)31-25)34(26)16-19-9-13-21(36-2)14-10-19/h3-14H,15-16H2,1-2H3InChIKey
DTCCSUXPZDEZLO-UHFFFAOYSA-NSynonyms
799836-10-53(4chlorobenzyl)11(4methoxybenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4chlorobenzyl)11(4methoxybenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
799836105
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=C(C=C5)OC)C(=O)N1CC6=CC=C(C=C6)Cl
InChI=1SC28H22ClN5O2c117302624(28(35)33(17)151871120(29)12818)2527(3223643522(23)3125)34(26)161991321(362)141019h314H1516H212H3
MFCD03685246
ZINC000002246867
ZINC02246867
ZINC2246867
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