Vitas-M small molecule compound

3-{4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl}-1,2-benzothiazole

Catalog ID
STK618186
SMILES COc1ccccc1OCCCCN1CCN(CC1)c1nsc2c1cccc2

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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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-26-19-9-3-4-10-20(19)27-17-7-6-12-24-13-15-25(16-14-24)22-18-8-2-5-11-21(18)28-23-22/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey
VVGRBCOSRQWFSB-UHFFFAOYSA-N
Synonyms
951988-92-4
3(4(4(2methoxyphenoxy)butyl)piperazin1yl)12benzothiazole
3(4(4(2methoxyphenoxy)butyl)piperazin1yl)benzo(d)isothiazole
951988924
COC1=CC=CC=C1OCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC22H27N3O2Sc126199341020(19)2717761224131525(161424)22188251121(18)282322h25811H671217H21H3
MFCD09857460
ZINC000013730324
ZINC13730324

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Available files

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