Vitas-M small molecule compound

(1,6-dioxohexane-1,6-diyl)bis[(1E)hydrazin-2-yl-1-ylidene(E)methylylidenebenzene-4,1-diyl] bis(3,5-dinitrobenzoate)

Catalog ID
STK672559
SMILES O=C(N/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C34H26N8O14 MW 770.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N8O14/c43-31(37-35-19-21-5-9-29(10-6-21)55-33(45)23-13-25(39(47)48)17-26(14-23)40(49)50)3-1-2-4-32(44)38-36-20-22-7-11-30(12-8-22)56-34(46)24-15-27(41(51)52)18-28(16-24)42(53)54/h5-20H,1-4H2,(H,37,43)(H,38,44)/b35-19+,36-20+
InChIKey
QJLLUFBEAHXKBB-CQFWSYKGSA-N
Synonyms

(16dioxohexane16diyl)bis((1E)hydrazin2yl1ylidene(E)methylylidenebenzene41diyl)bis(35dinitrobenzoate)
(4((E)((6((2E)2((4(35dinitrobenzoyl)oxyphenyl)methylidene)hydrazinyl)6oxohexanoyl)hydrazinylidene)methyl)phenyl)35dinitrobenzoate
C1=CC(=CC=C1C=NNC(=O)CCCCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))OC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC34H26N8O14c4331(373519215929(10621)5533(45)231325(39(47)48)1726(1423)40(49)50)312432(44)3836202271130(12822)5634(46)241527(41(51)52)1828(1624)42(53)54h520H14H2(H3743)(H3844)b3519+3620+
MFCD00824733
O=C(NN=Cc1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))CCCCC(=O)NN=Cc1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000169683713
ZINC195789182

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Available files

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