Vitas-M small molecule compound
N-(4-methoxybenzyl)-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide
Catalog ID
STL287106
SMILES COc1ccc(cc1)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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-23-12-5-2-10(3-6-12)9-16-15-13-7-4-11(18(19)20)8-14(13)24(21,22)17-15/h2-8H,9H2,1H3,(H,16,17)InChIKey
LKAICWVUIWIZRL-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CNC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
COc1ccc(cc1)CNC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC15H13N3O5Sc123125210(3612)91615137411(18(19)20)814(13)24(2122)1715h28H9H21H3(H1617)
MFCD02644892
N((4methoxyphenyl)methyl)6nitro11dioxo12benzothiazol3amine
N(4methoxybenzyl)6nitro12benzothiazol3amine11dioxide
ZINC000095481791
ZINC95481791
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