Vitas-M small molecule compound

(1,3-dioxopropane-1,3-diyl)bis[(1E)hydrazin-2-yl-1-ylidene(E)methylylidenebenzene-4,1-diyl] bis(3-nitrobenzenesulfonate)

Catalog ID
STK671601
SMILES O=C(CC(=O)N/N=C/c1ccc(cc1)OS(=O)(=O)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)OS(=O)(=O)c1cccc(c1)[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 C29H22N6O12S2 MW 710.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N6O12S2/c36-28(32-30-18-20-7-11-24(12-8-20)46-48(42,43)26-5-1-3-22(15-26)34(38)39)17-29(37)33-31-19-21-9-13-25(14-10-21)47-49(44,45)27-6-2-4-23(16-27)35(40)41/h1-16,18-19H,17H2,(H,32,36)(H,33,37)/b30-18+,31-19+
InChIKey
PPESMSHPDNEOHZ-GFTXTJKWSA-N
Synonyms

(13dioxopropane13diyl)bis((1E)hydrazin2yl1ylidene(E)methylylidenebenzene41diyl)bis(3nitrobenzenesulfonate)
(4((E)((3((2E)2((4(3nitrophenyl)sulfonyloxyphenyl)methylidene)hydrazinyl)3oxopropanoyl)hydrazinylidene)methyl)phenyl)3nitrobenzenesulfonate
C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)CC(=O)NN=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC29H22N6O12S2c3628(3230182071124(12820)4648(4243)2651322(1526)34(38)39)1729(37)3331192191325(141021)4749(4445)2762423(1627)35(40)41h1161819H17H2(H3236)(H3337)b3018+3119+
MFCD00820349
O=C(CC(=O)NN=Cc1ccc(cc1)OS(=O)(=O)c1cccc(c1)(N+)(=O)(O))NN=Cc1ccc(cc1)OS(=O)(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000150352176
ZINC150565522

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Available files

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