Vitas-M small molecule compound

2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK437390
SMILES O=S(=O)(c1cccc2c1nsn2)N1CCc2c(C1)cccc2

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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 C15H13N3O2S2 MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O2S2/c19-22(20,14-7-3-6-13-15(14)17-21-16-13)18-9-8-11-4-1-2-5-12(11)10-18/h1-7H,8-10H2
InChIKey
KTTRPYWGKZXTPS-UHFFFAOYSA-N
Synonyms
451469-83-3
2(213benzothiadiazol4ylsulfonyl)1234tetrahydroisoquinoline
4(34DIHYDRO1HISOQUINOLIN2YLSULFONYL)213BENZOTHIADIAZOLE
4(34DIHYDRO1HISOQUINOLIN2YLSULFONYL)PIAZTHIOLE
451469833
C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=NSN=C43
InChI=1SC15H13N3O2S2c1922(20147361315(14)17211613)189811412512(11)1018h17H810H2
MFCD03944997
ZINC000003015095
ZINC03015095
ZINC3015095

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Available files

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