Vitas-M small molecule compound

3-(1,4-diazepan-1-yl)-1,2-benzothiazole

Catalog ID
STL559100
SMILES N1CCCN(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 C12H15N3S MW 233.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3S/c1-2-5-11-10(4-1)12(14-16-11)15-8-3-6-13-7-9-15/h1-2,4-5,13H,3,6-9H2
InChIKey
JFQKDJUJUUPSJS-UHFFFAOYSA-N
Synonyms
99748-44-4
12BENZISOTHIAZOLE3(HEXAHYDRO1H14DIAZEPIN1YL)
13568452
3(14diazepan1yl)12benzothiazole
3(14DIAZEPAN1YL)BENZO(D)ISOTHIAZOLE
99748444
InChI=1SC12H15N3Sc1251110(41)12(141611)15836137915h124513H369H2
MFCD08706289
ZINC000034091287

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Available files

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