Vitas-M small molecule compound
ethyl 4-[2-methyl-3-(2-methylpropyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK714180
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CC(C)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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-5-34-26(33)17-10-12-18(13-11-17)31-23-21(25(32)30(14-15(2)3)16(4)27-23)22-24(31)29-20-9-7-6-8-19(20)28-22/h6-13,15H,5,14H2,1-4H3InChIKey
ADOTWHJSVNKNKC-UHFFFAOYSA-NSynonyms
799836-36-5799836365
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC(C)C
ethyl4(2methyl3(2methylpropyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3isobutyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC26H25N5O3c153426(33)17101218(131117)312321(25(32)30(1415(2)3)16(4)2723)2224(31)2920976819(20)2822h61315H514H214H3
MFCD03685293
ZINC000002246923
ZINC02246923
ZINC2246923
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