Vitas-M small molecule compound

[4-hydroxy-8-(trifluoromethoxy)quinolin-3-yl][4-(methylsulfonyl)piperazin-1-yl]methanone

Catalog ID
STL408194
SMILES O=C(c1cnc2c(c1O)cccc2OC(F)(F)F)N1CCN(CC1)S(=O)(=O)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 C16H16F3N3O5S MW 419.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N3O5S/c1-28(25,26)22-7-5-21(6-8-22)15(24)11-9-20-13-10(14(11)23)3-2-4-12(13)27-16(17,18)19/h2-4,9H,5-8H2,1H3,(H,20,23)
InChIKey
IQWNWYOWSZZGEA-UHFFFAOYSA-N
Synonyms
1630857-94-1
(4hydroxy8(trifluoromethoxy)quinolin3yl)(4(methylsulfonyl)piperazin1yl)methanone
1630857941
3(4methylsulfonylpiperazine1carbonyl)8(trifluoromethoxy)1Hquinolin4one
CS(=O)(=O)N1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=CC=C3OC(F)(F)F
InChI=1SC16H16F3N3O5Sc128(2526)227521(6822)15(24)119201310(14(11)23)32412(13)2716(1718)19h249H58H21H3(H2023)
MFCD28367898
ZINC000218326483
ZINC218326483

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Available files

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