Vitas-M small molecule compound
3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide
Catalog ID
STK133164
SMILES O=S1(=O)N=C(c2c1cccc2)N1CCCCCC1
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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 C13H16N2O2S MW 264.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2S/c16-18(17)12-8-4-3-7-11(12)13(14-18)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2InChIKey
XRMSASBXSGVRLP-UHFFFAOYSA-NSynonyms
309735-29-312BENZISOTHIAZOLE3(HEXAHYDRO1HAZEPIN1YL)11DIOXIDE
3(1AZEPANYL)12BENZISOTHIAZOLE11DIOXIDE
3(AZEPAN1YL)12BENZOTHIAZOLE11DIOXIDE
309735293
3AZAPERHYDROEPINYLBENZO(D)12THIAZOLINE11DIONE
3AZEPAN1YLBENZO(D)ISOTHIAZOLE11DIOXIDE
C1CCCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC13H16N2O2Sc1618(17)12843711(12)13(1418)15951261015h3478H1256910H2
MFCD02039689
ZINC000000149309
ZINC00149309
ZINC149309
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