Vitas-M small molecule compound

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone

Catalog ID
STK740843
SMILES O=C(C1COc2c(O1)cccc2)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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c24-20(17-13-25-15-6-2-3-7-16(15)26-17)23-11-9-22(10-12-23)19-14-5-1-4-8-18(14)27-21-19/h1-8,17H,9-13H2
InChIKey
MBHVMUGWRXMIIH-UHFFFAOYSA-N
Synonyms
879567-85-8
(4(12benzothiazol3yl)piperazin1yl)(23dihydro14benzodioxin2yl)methanone
(4(12BENZOTHIAZOL3YL)PIPERAZIN1YL)(23DIHYDRO14BENZODIOXIN3YL)METHANONE
(4(benzo(d)isothiazol3yl)piperazin1yl)(23dihydrobenzo(b)(14)dioxin2yl)methanone
879567858
C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)C4COC5=CC=CC=C5O4
InChI=1SC20H19N3O3Sc2420(17132515623716(15)2617)2311922(101223)1914514818(14)272119h1817H913H2
MFCD06790048
ZINC000005347562
ZINC000005347563

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Available files

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