Vitas-M small molecule compound

(4-fluorophenyl)(4-{3-[(furan-2-ylmethyl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)methanone

Catalog ID
STK052916
SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)SCc1ccco1)[N+](=O)[O-]

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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 C22H20FN3O4S MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O4S/c23-17-5-3-16(4-6-17)22(27)25-11-9-24(10-12-25)18-7-8-20(26(28)29)21(14-18)31-15-19-2-1-13-30-19/h1-8,13-14H,9-12,15H2
InChIKey
LEDBDXSTURLKAN-UHFFFAOYSA-N
Synonyms

(4FLUOROPHENYL)(4(3((FURAN2YLMETHYL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(4FLUOROPHENYL)(4(3(FURAN2YLMETHYLSULFANYL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
4FLUOROPHENYL4(3(2FURYLMETHYLTHIO)4NITROPHENYL)PIPERAZINYLKETONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))SCC3=CC=CO3)C(=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)SCc1ccco1)(N+)(=O)(O)
InChI=1SC22H20FN3O4Sc23175316(4617)22(27)2511924(101225)187820(26(28)29)21(1418)31151921133019h181314H91215H2
MFCD03146628
STK052916
ZINC000008857461
ZINC08857461
ZINC8857461

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Available files

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