Vitas-M small molecule compound

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

Catalog ID
STK624106
SMILES COc1cc(Cl)ccc1OCCCN1CCN(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 C21H24ClN3O2S MW 417.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3O2S/c1-26-19-15-16(22)7-8-18(19)27-14-4-9-24-10-12-25(13-11-24)21-17-5-2-3-6-20(17)28-23-21/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
XFCQJMSSCJLBTK-UHFFFAOYSA-N
Synonyms
951943-21-8
3(4(3(4chloro2methoxyphenoxy)propyl)piperazin1yl)12benzothiazole
3(4(3(4chloro2methoxyphenoxy)propyl)piperazin1yl)benzo(d)isothiazole
951943218
COC1=C(C=CC(=C1)Cl)OCCCN2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC21H24ClN3O2Sc126191516(22)7818(19)27144924101225(131124)2117523620(17)282321h235815H4914H21H3
MFCD09853260
ZINC000013692250
ZINC13692250

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Available files

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