Vitas-M small molecule compound
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STL239980
SMILES COc1cc(ccc1OC)CC(=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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-26-17-8-7-15(13-18(17)27-2)14-20(25)23-9-11-24(12-10-23)21-16-5-3-4-6-19(16)28-22-21/h3-8,13H,9-12,14H2,1-2H3InChIKey
PTUAEXSNLIYYKS-UHFFFAOYSA-NSynonyms
921052-92-81(4(12benzothiazol3yl)piperazin1yl)2(34dimethoxyphenyl)ethanone
1(4(benzo(d)isothiazol3yl)piperazin1yl)2(34dimethoxyphenyl)ethanone
921052928
COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43)OC
InChI=1SC21H23N3O3Sc126178715(1318(17)272)1420(25)2391124(121023)2116534619(16)282221h3813H91214H212H3
MFCD08744723
ZINC000013624908
ZINC13624908
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