Vitas-M small molecule compound

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

Catalog ID
STK538598
SMILES COC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)F)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 C24H21FN4O4S2 MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN4O4S2/c1-33-24(30)20-16-6-2-5-9-19(16)34-23(20)28-21-22(27-18-8-4-3-7-17(18)26-21)29-35(31,32)15-12-10-14(25)11-13-15/h3-4,7-8,10-13H,2,5-6,9H2,1H3,(H,26,28)(H,27,29)
InChIKey
UBIZYIRPHHAERC-UHFFFAOYSA-N
Synonyms
488843-69-2
488843692
COC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)F
InChI=1SC24H21FN4O4S2c13324(30)2016625919(16)3423(20)282122(2718843717(18)2621)2935(3132)15121014(25)111315h34781013H2569H21H3(H2628)(H2729)
methyl2((3(((4fluorophenyl)sulfonyl)amino)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3((4fluorophenyl)sulfonylamino)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3(4fluorophenylsulfonamido)quinoxalin2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03294531
ZINC000002199485
ZINC02199485
ZINC2199485

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Available files

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