Vitas-M small molecule compound

1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

Catalog ID
STK627757
SMILES Clc1ccc(cc1)OCC(=O)N1CCN(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 C19H18ClN3O2S MW 387.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O2S/c20-14-5-7-15(8-6-14)25-13-18(24)22-9-11-23(12-10-22)19-16-3-1-2-4-17(16)26-21-19/h1-8H,9-13H2
InChIKey
NEFWPDRLSVYXCB-UHFFFAOYSA-N
Synonyms
929842-33-1
1(4(12benzothiazol3yl)piperazin1yl)2(4chlorophenoxy)ethanone
1(4(benzo(d)isothiazol3yl)piperazin1yl)2(4chlorophenoxy)ethanone
929842331
C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)Cl
InChI=1SC19H18ClN3O2Sc20145715(8614)251318(24)2291123(121022)1916312417(16)262119h18H913H2
MFCD09795895
ZINC000009048087
ZINC09048087
ZINC9048087

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Available files

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