Vitas-M small molecule compound

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

Catalog ID
STL287137
SMILES CCCCOc1ccccc1NC1=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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-2-3-10-25-15-7-5-4-6-14(15)18-17-13-9-8-12(20(21)22)11-16(13)26(23,24)19-17/h4-9,11H,2-3,10H2,1H3,(H,18,19)
InChIKey
HQEFTROGTRPEJT-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
CCCCOc1ccccc1NC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC17H17N3O5Sc123102515754614(15)1817139812(20(21)22)1116(13)26(2324)1917h4911H2310H21H3(H1819)
MFCD00468261
N(2BUTOXYPHENYL)6NITRO11DIOXO12BENZOTHIAZOL3AMINE
N(2butoxyphenyl)6nitro12benzothiazol3amine11dioxide
ZINC000005250190
ZINC5250190

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Available files

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