Vitas-M small molecule compound

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

Catalog ID
STL287144
SMILES CCc1ccccc1NC1=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 C15H13N3O4S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4S/c1-2-10-5-3-4-6-13(10)16-15-12-8-7-11(18(19)20)9-14(12)23(21,22)17-15/h3-9H,2H2,1H3,(H,16,17)
InChIKey
WGVWPOURALMBEP-UHFFFAOYSA-N
Synonyms

3((2ETHYLPHENYL)AMINO)6NITROBENZO(D)12THIAZOLE11DIONE
CCC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
CCc1ccccc1NC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC15H13N3O4Sc1210534613(10)1615128711(18(19)20)914(12)23(2122)1715h39H2H21H3(H1617)
MFCD00469479
N(2ETHYLPHENYL)6NITRO11DIOXO12BENZOTHIAZOL3AMINE
N(2ethylphenyl)6nitro12benzothiazol3amine11dioxide
ZINC000004117080
ZINC04117080
ZINC4117080

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Available files

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