Vitas-M small molecule compound
3-(4-{(E)-[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenoxy)-1,2-benzothiazole 1,1-dioxide
Catalog ID
STL287182
SMILES [O-][N+](=O)c1cc(ccc1N/N=C/c1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2)[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 C20H13N5O7S MW 467.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O7S/c26-24(27)14-7-10-17(18(11-14)25(28)29)22-21-12-13-5-8-15(9-6-13)32-20-16-3-1-2-4-19(16)33(30,31)23-20/h1-12,22H/b21-12+InChIKey
IXWVYPPEMLMQQF-CIAFOILYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1NN=Cc1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2)(N+)(=O)(O)
3(4((E)(2(24dinitrophenyl)hydrazinylidene)methyl)phenoxy)12benzothiazole11dioxide
C1=CC=C2C(=C1)C(=NS2(=O)=O)OC3=CC=C(C=C3)C=NNC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H13N5O7Sc2624(27)1471017(18(1114)25(28)29)222112135815(9613)322016312419(16)33(3031)2320h11222Hb2112+
MFCD24847433
N((E)(4((11dioxo12benzothiazol3yl)oxy)phenyl)methylideneamino)24dinitroaniline
ZINC000095481825
ZINC101349068
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