Vitas-M small molecule compound

(4-{[4-(butan-2-yl)phenyl]sulfonyl}piperazin-1-yl)(pyridin-4-yl)methanone

Catalog ID
STK487752
SMILES CCC(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccncc1)C

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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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-3-16(2)17-4-6-19(7-5-17)27(25,26)23-14-12-22(13-15-23)20(24)18-8-10-21-11-9-18/h4-11,16H,3,12-15H2,1-2H3
InChIKey
MYBRDRUYKCOEOD-UHFFFAOYSA-N
Synonyms

(4((4(butan2yl)phenyl)sulfonyl)piperazin1yl)(pyridin4yl)methanone
(4(4butan2ylphenyl)sulfonylpiperazin1yl)pyridin4ylmethanone
4((4(METHYLPROPYL)PHENYL)SULFONYL)PIPERAZINYL4PYRIDYLKETONE
CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3
InChI=1SC20H25N3O3Sc1316(2)174619(7517)27(2526)23141222(131523)20(24)188102111918h41116H31215H212H3
MFCD09431449
ZINC000013331516
ZINC000013331517

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Available files

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