Vitas-M small molecule compound

3-{4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-1-yl}-1,2-benzothiazole

Catalog ID
STK622848
SMILES COc1cccc(c1OCCCCN1CCN(CC1)c1nsc2c1cccc2)OC

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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 C23H29N3O3S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O3S/c1-27-19-9-7-10-20(28-2)22(19)29-17-6-5-12-25-13-15-26(16-14-25)23-18-8-3-4-11-21(18)30-24-23/h3-4,7-11H,5-6,12-17H2,1-2H3
InChIKey
ZUZBFRTVUCRAAJ-UHFFFAOYSA-N
Synonyms
951966-76-0
3(4(4(26dimethoxyphenoxy)butyl)piperazin1yl)12benzothiazole
3(4(4(26dimethoxyphenoxy)butyl)piperazin1yl)benzo(d)isothiazole
951966760
COC1=C(C(=CC=C1)OC)OCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC23H29N3O3Sc12719971020(282)22(19)2917651225131526(161425)23188341121(18)302423h34711H561217H212H3
MFCD09857087
ZINC000013728948
ZINC13728948

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Available files

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