Vitas-M small molecule compound
3-benzyl-11-(3-methoxyphenyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL330340
SMILES COc1cccc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1
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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 C27H21N5O2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O2/c1-17-28-25-23(27(33)31(17)16-18-9-4-3-5-10-18)24-26(30-22-14-7-6-13-21(22)29-24)32(25)19-11-8-12-20(15-19)34-2/h3-15H,16H2,1-2H3InChIKey
JUDCTLRZNRUXSE-UHFFFAOYSA-NSynonyms
3benzyl11(3methoxyphenyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3benzyl11(3methoxyphenyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=CC=C5)OC)C(=O)N1CC6=CC=CC=C6
InChI=1SC27H21N5O2c117282523(27(33)31(17)161894351018)2426(302214761321(22)2924)32(25)191181220(1519)342h315H16H212H3
MFCD02993967
ZINC000002301528
ZINC02301528
ZINC2301528
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