Vitas-M small molecule compound

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

Catalog ID
STK630998
SMILES COc1ccc(cc1)OCCCCN1CCN(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/c1-26-18-8-10-19(11-9-18)27-17-5-4-12-24-13-15-25(16-14-24)22-20-6-2-3-7-21(20)28-23-22/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey
QTIHWENRKWQJFW-UHFFFAOYSA-N
Synonyms
951946-55-7
3(4(4(4methoxyphenoxy)butyl)piperazin1yl)12benzothiazole
3(4(4(4methoxyphenoxy)butyl)piperazin1yl)benzo(d)isothiazole
951946557
COC1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC22H27N3O2Sc1261881019(11918)2717541224131525(161424)2220623721(20)282322h23611H451217H21H3
MFCD09851312
ZINC000013689868
ZINC13689868

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Available files

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