Vitas-M small molecule compound
methyl 4-[3-(butan-2-yl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK920411
SMILES COC(=O)c1ccc(cc1)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 C25H23N5O3 MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3/c1-5-14(2)29-15(3)26-22-20(24(29)31)21-23(28-19-9-7-6-8-18(19)27-21)30(22)17-12-10-16(11-13-17)25(32)33-4/h6-14H,5H2,1-4H3InChIKey
KPJPOGRLBQPLRL-UHFFFAOYSA-NSynonyms
844859-68-3844859683
CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC)C
InChI=1SC25H23N5O3c1514(2)2915(3)262220(24(29)31)2123(2819976818(19)2721)30(22)17121016(111317)25(32)334h614H5H214H3
methyl4(3(butan2yl)2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3(secbutyl)2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD04165324
ZINC000002411834
ZINC000002411835
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