Vitas-M small molecule compound
6-nitro-N-(2-phenylpropyl)-1,2-benzothiazol-3-amine 1,1-dioxide
Catalog ID
STL287097
SMILES CC(c1ccccc1)CNC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-]
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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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-11(12-5-3-2-4-6-12)10-17-16-14-8-7-13(19(20)21)9-15(14)24(22,23)18-16/h2-9,11H,10H2,1H3,(H,17,18)InChIKey
LQAMUOPURWQRRN-UHFFFAOYSA-NSynonyms
6nitro11dioxoN(2phenylpropyl)12benzothiazol3amine
6nitroN(2phenylpropyl)12benzothiazol3amine11dioxide
CC(c1ccccc1)CNC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
CC(CNC1=NS(=O)(=O)C2=C1C=CC(=C2)(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC16H15N3O4Sc111(125324612)101716148713(19(20)21)915(14)24(2223)1816h2911H10H21H3(H1718)
MFCD24847393
ZINC000095481786
ZINC000095481787
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