Vitas-M small molecule compound
6-nitro-N-[2-(prop-1-en-2-yl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
Catalog ID
STL287146
SMILES CC(=C)c1ccccc1NC1=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 C16H13N3O4S MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S/c1-10(2)12-5-3-4-6-14(12)17-16-13-8-7-11(19(20)21)9-15(13)24(22,23)18-16/h3-9H,1H2,2H3,(H,17,18)InChIKey
KXSAKSAXEDYPBN-UHFFFAOYSA-NSynonyms
6nitro11dioxoN(2prop1en2ylphenyl)12benzothiazol3amine
6nitroN(2(prop1en2yl)phenyl)12benzothiazol3amine11dioxide
CC(=C)C1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)(N+)(=O)(O)
CC(=C)c1ccccc1NC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O)
InChI=1SC16H13N3O4Sc110(2)12534614(12)1716138711(19(20)21)915(13)24(2223)1816h39H1H22H3(H1718)
MFCD24847411
ZINC000095481812
ZINC95481812
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