Vitas-M small molecule compound
methyl 4-{(E)-[(4-oxo-3-phenyl-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)imino]methyl}benzoate
Catalog ID
STK575536
SMILES COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)c1ccccc1
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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 C27H18N6O3 MW 474.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N6O3/c1-36-27(35)18-13-11-17(12-14-18)15-29-33-24-22(23-25(33)31-21-10-6-5-9-20(21)30-23)26(34)32(16-28-24)19-7-3-2-4-8-19/h2-16H,1H3/b29-15+InChIKey
NVHGXBSEYDXJRG-WKULSOCRSA-NSynonyms
877779-36-7(E)methyl4(((4oxo3phenyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)imino)methyl)benzoate
877779367
COC(=O)C1=CC=C(C=C1)C=NN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)C6=CC=CC=C6
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c2c1ncn(c2=O)c1ccccc1
InChI=1SC27H18N6O3c13627(35)18131117(121418)1529332422(2325(33)31211065920(21)3023)26(34)32(162824)197324819h216H1H3b2915+
methyl4((E)((4oxo3phenyl34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)imino)methyl)benzoate
MFCD05700073
ZINC000013811113
ZINC102577551
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