Vitas-M small molecule compound

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

Catalog ID
STK545218
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

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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)30-27(34)23-24-26(32-22-11-7-6-10-21(22)31-24)33(25(23)29)17-16-18-8-4-3-5-9-18/h3-15H,2,16-17,29H2,1H3,(H,30,34)
InChIKey
DQPCXECPKLQDJI-UHFFFAOYSA-N
Synonyms
797796-76-0
797796760
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)N
ethyl4(((2amino1(2phenylethyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)benzoate
ethyl4((2amino1(2phenylethyl)pyrrolo(32b)quinoxaline3carbonyl)amino)benzoate
ETHYL4((2AMINO1PHENETHYLPYRROLO(32B)QUINOXALINE3CARBONYL)AMINO)BENZOATE
ethyl4(2amino1phenethyl1Hpyrrolo(23b)quinoxaline3carboxamido)benzoate
InChI=1SC28H25N5O3c123628(35)19121420(151319)3027(34)232426(322211761021(22)3124)33(25(23)29)1716188435918h315H2161729H21H3(H3034)
MFCD03667363
ZINC000002194659
ZINC02194659
ZINC2194659

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Available files

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