Vitas-M small molecule compound

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

Catalog ID
STK752481
SMILES COc1cccc(c1)NC1=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 C14H11N3O5S MW 333.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O5S/c1-22-11-4-2-3-9(7-11)15-14-12-6-5-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)
InChIKey
DFCRBYSNWULNPV-UHFFFAOYSA-N
Synonyms
313365-36-5
313365365
COC1=CC=CC(=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
COc1cccc(c1)NC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC14H11N3O5Sc122114239(711)1514126510(17(18)19)813(12)23(2021)1614h28H1H3(H1516)
MFCD00486301
N(3METHOXYPHENYL)6NITRO11DIOXO12BENZOTHIAZOL3AMINE
N(3methoxyphenyl)6nitro12benzothiazol3amine11dioxide
ZINC000004360457
ZINC04360457
ZINC4360457

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Available files

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