Vitas-M small molecule compound
butyl 4-[3-(butan-2-yl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STL238447
SMILES CCCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-4-6-15-35-27(34)18-11-13-19(14-12-18)32-24-22(26(33)31(16-28-24)17(3)5-2)23-25(32)30-21-10-8-7-9-20(21)29-23/h7-14,16-17H,4-6,15H2,1-3H3InChIKey
VQBKWGBHFRVHMD-UHFFFAOYSA-NSynonyms
848212-52-2848212522
butyl4(3(butan2yl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
butyl4(3(secbutyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)C(C)CC
InChI=1SC27H27N5O3c146153527(34)18111319(141218)322422(26(33)31(162824)17(3)52)2325(32)30211087920(21)2923h7141617H4615H213H3
MFCD04188657
ZINC000002423834
ZINC000002423835
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