Vitas-M small molecule compound

[5-(4-bromophenyl)furan-2-yl][4-(4-methylphenyl)piperazin-1-yl]methanethione

Catalog ID
STK543480
SMILES Cc1ccc(cc1)N1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1)Br

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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 C22H21BrN2OS MW 441.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2OS/c1-16-2-8-19(9-3-16)24-12-14-25(15-13-24)22(27)21-11-10-20(26-21)17-4-6-18(23)7-5-17/h2-11H,12-15H2,1H3
InChIKey
VNOCTPWBIDBQIF-UHFFFAOYSA-N
Synonyms
391890-92-9
(5(4bromophenyl)furan2yl)(4(4methylphenyl)piperazin1yl)methanethione
(5(4bromophenyl)furan2yl)(4(ptolyl)piperazin1yl)methanethione
391890929
CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC=C(C=C4)Br
InChI=1SC22H21BrN2OSc1162819(9316)24121425(151324)22(27)21111020(2621)174618(23)7517h211H1215H21H3
MFCD02977032
ZINC000001249045
ZINC01249045
ZINC1249045

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Available files

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