Vitas-M small molecule compound
methyl 4-[(E)-({2-amino-3-[(2-methoxyethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzoate
Catalog ID
STK828711
SMILES COCCNC(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1ccc(cc1)C(=O)OC
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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 C23H22N6O4 MW 446.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O4/c1-32-12-11-25-22(30)18-19-21(28-17-6-4-3-5-16(17)27-19)29(20(18)24)26-13-14-7-9-15(10-8-14)23(31)33-2/h3-10,13H,11-12,24H2,1-2H3,(H,25,30)/b26-13+InChIKey
BRSYXKUBPQALGT-LGJNPRDNSA-NSynonyms
836635-81-5(E)methyl4(((2amino3((2methoxyethyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
836635815
COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=C(C=C4)C(=O)OC)N
COCCNC(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1ccc(cc1)C(=O)OC
InChI=1SC23H22N6O4c13212112522(30)181921(2817643516(17)2719)29(20(18)24)2613147915(10814)23(31)332h31013H111224H212H3(H2530)b2613+
methyl4((E)((2amino3((2methoxyethyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
methyl4((E)(2amino3(2methoxyethylcarbamoyl)pyrrolo(32b)quinoxalin1yl)iminomethyl)benzoate
MFCD03689741
ZINC000008836187
ZINC35386726
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