Vitas-M small molecule compound

N-(2-methylphenyl)-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide

Catalog ID
STK751777
SMILES Cc1ccccc1NC1=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 C14H11N3O4S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O4S/c1-9-4-2-3-5-12(9)15-14-11-7-6-10(17(18)19)8-13(11)22(20,21)16-14/h2-8H,1H3,(H,15,16)
InChIKey
YWJMERHDHWHXPI-UHFFFAOYSA-N
Synonyms

3((2METHYLPHENYL)AMINO)6NITROBENZO(D)12THIAZOLINE11DIONE
CC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
Cc1ccccc1NC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC14H11N3O4Sc19423512(9)1514117610(17(18)19)813(11)22(2021)1614h28H1H3(H1516)
MFCD00486282
N(2METHYLPHENYL)6NITRO11DIOXO12BENZOTHIAZOL3AMINE
N(2methylphenyl)6nitro12benzothiazol3amine11dioxide
ZINC000004359575
ZINC04359575
ZINC4359575

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Available files

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