Vitas-M small molecule compound

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

Catalog ID
STL236614
SMILES CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCC(CC2)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 C25H30N4O2S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S/c1-3-31-25(30)21-17-8-4-7-11-20(17)32-24(21)28-22-23(29-14-12-16(2)13-15-29)27-19-10-6-5-9-18(19)26-22/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,26,28)
InChIKey
BXMBLYULYGKROO-UHFFFAOYSA-N
Synonyms
371116-26-6
371116266
CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCC(CC5)C
ethyl2((3(4methylpiperidin1yl)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3(4methylpiperidin1yl)quinoxalin2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC25H30N4O2Sc133125(30)21178471120(17)3224(21)282223(29141216(2)131529)27191065918(19)2622h5691016H34781115H212H3(H2628)
MFCD03007505
ZINC000002313702
ZINC02313702
ZINC2313702

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Available files

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