Vitas-M small molecule compound
methyl 4-{(E)-[(2-methyl-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
STL235101
SMILES COC(=O)c1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1nc(C)n(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 C28H20N6O3 MW 488.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N6O3/c1-17-30-25-23(27(35)33(17)20-8-4-3-5-9-20)24-26(32-22-11-7-6-10-21(22)31-24)34(25)29-16-18-12-14-19(15-13-18)28(36)37-2/h3-16H,1-2H3/b29-16+InChIKey
OAJWMSCMJPUHDK-MUFRIFMGSA-NSynonyms
844446-68-0(E)methyl4(((2methyl4oxo3phenyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)imino)methyl)benzoate
844446680
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=C(C=C5)C(=O)OC)C(=O)N1C6=CC=CC=C6
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)c1ccccc1
InChI=1SC28H20N6O3c117302523(27(35)33(17)208435920)2426(322211761021(22)3124)34(25)291618121419(151318)28(36)372h316H12H3b2916+
methyl4((E)((2methyl4oxo3phenyl34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)imino)methyl)benzoate
MFCD04154902
ZINC000002400224
ZINC4506385
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