Vitas-M small molecule compound

{3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile

Catalog ID
STK545908
SMILES N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F

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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 C27H24FN5O2S MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FN5O2S/c1-19-6-12-22(13-7-19)36(34,35)25(18-29)26-27(31-24-5-3-2-4-23(24)30-26)33-16-14-32(15-17-33)21-10-8-20(28)9-11-21/h2-13,25H,14-17H2,1H3
InChIKey
PBEJJHLJQLRGQP-UHFFFAOYSA-N
Synonyms
797773-15-0
(2R)(3(4(4FLUOROPHENYL)PIPERAZIN1YL)QUINOXALIN2YL)((4METHYLPHENYL)SULFONYL)ETHANENITRILE
(2S)(3(4(4FLUOROPHENYL)PIPERAZIN1YL)QUINOXALIN2YL)((4METHYLPHENYL)SULFONYL)ETHANENITRILE
(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)((4methylphenyl)sulfonyl)acetonitrile
2(3(4(4FLUOROPHENYL)PIPERAZIN1YL)QUINOXALIN2YL)2(4METHYLPHENYL)SULFONYLACETONITRILE
2(3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)2tosylacetonitrile
797773150
CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F
InChI=1SC27H24FN5O2Sc11961222(13719)36(3435)25(1829)2627(3124532423(24)3026)33161432(151733)2110820(28)91121h21325H1417H21H3
MFCD03666191
ZINC000002376093
ZINC000002376094

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Available files

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