Vitas-M small molecule compound

ethyl 4-{2-amino-3-[(2-phenylethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate

Catalog ID
STK538590
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccccc1

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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 C28H25N5O3 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3/c1-2-36-28(35)19-12-14-20(15-13-19)33-25(29)23(27(34)30-17-16-18-8-4-3-5-9-18)24-26(33)32-22-11-7-6-10-21(22)31-24/h3-15H,2,16-17,29H2,1H3,(H,30,34)
InChIKey
PYBALAPTUILWGD-UHFFFAOYSA-N
Synonyms
488854-13-3
488854133
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N
ethyl4(2amino3((2phenylethyl)carbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoate
ethyl4(2amino3(2phenylethylcarbamoyl)pyrrolo(32b)quinoxalin1yl)benzoate
ethyl4(2amino3(phenethylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoate
ETHYL4(2AMINO3(PHENETHYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)BENZOATE
InChI=1SC28H25N5O3c123628(35)19121420(151319)3325(29)23(27(34)301716188435918)2426(33)322211761021(22)3124h315H2161729H21H3(H3034)
MFCD03294850
ZINC000009273075
ZINC09273075
ZINC9273075

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.