Vitas-M small molecule compound

4-[(E)-{2-[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene}methyl]-2-methoxyphenyl 2-nitrobenzenesulfonate

Catalog ID
STK698227
SMILES COc1cc(/C=N/Nc2cc(nc(n2)N(C)C)N(C)C)ccc1OS(=O)(=O)c1ccccc1[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 C22H25N7O6S MW 515.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O6S/c1-27(2)21-13-20(24-22(25-21)28(3)4)26-23-14-15-10-11-17(18(12-15)34-5)35-36(32,33)19-9-7-6-8-16(19)29(30)31/h6-14H,1-5H3,(H,24,25,26)/b23-14+
InChIKey
PDZJIEKNBDVURF-OEAKJJBVSA-N
Synonyms

(4((E)((26bis(dimethylamino)pyrimidin4yl)hydrazinylidene)methyl)2methoxyphenyl)2nitrobenzenesulfonate
(E)4((2(26bis(dimethylamino)pyrimidin4yl)hydrazono)methyl)2methoxyphenyl2nitrobenzenesulfonate
4((E)(2(26bis(dimethylamino)pyrimidin4yl)hydrazinylidene)methyl)2methoxyphenyl2nitrobenzenesulfonate
CN(C)C1=NC(=NC(=C1)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))OC)N(C)C
COc1cc(C=NNc2cc(nc(n2)N(C)C)N(C)C)ccc1OS(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H25N7O6Sc127(2)211320(2422(2521)28(3)4)26231415101117(18(1215)345)3536(3233)19976816(19)29(30)31h614H15H3(H242526)b2314+
MFCD02952528
ZINC000016945641
ZINC4480413

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Available files

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