Vitas-M small molecule compound
3-[(2E)-2-(3-bromo-4-methoxybenzylidene)-1-methylhydrazinyl]-6-nitro-1,2-benzothiazole 1,1-dioxide
Catalog ID
STK747964
SMILES COc1ccc(cc1Br)/C=N/N(C1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])C
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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 C16H13BrN4O5S MW 453.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O5S/c1-20(18-9-10-3-6-14(26-2)13(17)7-10)16-12-5-4-11(21(22)23)8-15(12)27(24,25)19-16/h3-9H,1-2H3/b18-9+InChIKey
WYCWRURKMZPRDU-GIJQJNRQSA-NSynonyms
3((2E)2(3bromo4methoxybenzylidene)1methylhydrazinyl)6nitro12benzothiazole11dioxide
CN(C1=NS(=O)(=O)C2=C1C=CC(=C2)(N+)(=O)(O))N=CC3=CC(=C(C=C3)OC)Br
COc1ccc(cc1Br)C=NN(C1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O))C
InChI=1SC16H13BrN4O5Sc120(189103614(262)13(17)710)16125411(21(22)23)815(12)27(2425)1916h39H12H3b189+
MFCD00490459
N((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)NMETHYL6NITRO11DIOXO12BENZOTHIAZOL3AMINE
ZINC000012414072
ZINC33411552
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