Vitas-M small molecule compound

[3-(azepan-1-ylsulfonyl)-4-chlorophenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone

Catalog ID
STK825955
SMILES O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)Cl)N1CCN(CC1)c1ccccc1F

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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 C23H27ClFN3O3S MW 480.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClFN3O3S/c24-19-10-9-18(17-22(19)32(30,31)28-11-5-1-2-6-12-28)23(29)27-15-13-26(14-16-27)21-8-4-3-7-20(21)25/h3-4,7-10,17H,1-2,5-6,11-16H2
InChIKey
PPXMINICWMSOHE-UHFFFAOYSA-N
Synonyms
887863-51-6
(3(azepan1ylsulfonyl)4chlorophenyl)(4(2fluorophenyl)piperazin1yl)methanone
3(AZAPERHYDROEPINYLSULFONYL)4CHLOROPHENYL4(2FLUOROPHENYL)PIPERAZINYLKETONE
887863516
C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)Cl
InChI=1SC23H27ClFN3O3Sc241910918(1722(19)32(3031)281151261228)23(29)27151326(141627)21843720(21)25h3471017H12561116H2
MFCD06751095
ZINC000009849137
ZINC09849137
ZINC9849137

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Available files

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