Vitas-M small molecule compound
3-(butan-2-yl)-11-(3-chloro-4-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL225952
SMILES COc1ccc(cc1Cl)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(CC)C
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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 C24H22ClN5O2 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O2/c1-5-13(2)29-14(3)26-22-20(24(29)31)21-23(28-18-9-7-6-8-17(18)27-21)30(22)15-10-11-19(32-4)16(25)12-15/h6-13H,5H2,1-4H3InChIKey
RKYMVHPXKXREPY-UHFFFAOYSA-NSynonyms
844448-52-83(butan2yl)11(3chloro4methoxyphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(3chloro4methoxyphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
844448528
CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)OC)Cl)C
InChI=1SC24H22ClN5O2c1513(2)2914(3)262220(24(29)31)2123(2818976817(18)2721)30(22)15101119(324)16(25)1215h613H5H214H3
MFCD04155085
ZINC000002400394
ZINC000002400395
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