Vitas-M small molecule compound

ethyl 2-({3-[benzyl(methyl)amino]quinoxalin-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK538137
SMILES CCOC(=O)c1c(Nc2nc3ccccc3nc2N(Cc2ccccc2)C)sc2c1CCCC2

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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-3-33-27(32)23-19-13-7-10-16-22(19)34-26(23)30-24-25(29-21-15-9-8-14-20(21)28-24)31(2)17-18-11-5-4-6-12-18/h4-6,8-9,11-12,14-15H,3,7,10,13,16-17H2,1-2H3,(H,28,30)
InChIKey
QDCZCCOABJYXIQ-UHFFFAOYSA-N
Synonyms
370854-49-2
370854492
CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N(C)CC5=CC=CC=C5
ethyl2((3(benzyl(methyl)amino)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3(benzyl(methyl)amino)quinoxalin2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC27H28N4O2Sc133327(32)2319137101622(19)3426(23)302425(292115981420(21)2824)31(2)1718115461218h468911121415H3710131617H212H3(H2830)
MFCD02999682
ZINC000002310164
ZINC02310164
ZINC2310164

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Available files

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