Vitas-M small molecule compound
(1,2-dioxoethane-1,2-diyl)bis[(1E)hydrazin-2-yl-1-ylidene(E)methylylidenebenzene-4,1-diyl] bis(3,5-dinitrobenzoate)
Catalog ID
STK672558
SMILES O=C(C(=O)N/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[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 C30H18N8O14 MW 714.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H18N8O14/c39-27(33-31-15-17-1-5-25(6-2-17)51-29(41)19-9-21(35(43)44)13-22(10-19)36(45)46)28(40)34-32-16-18-3-7-26(8-4-18)52-30(42)20-11-23(37(47)48)14-24(12-20)38(49)50/h1-16H,(H,33,39)(H,34,40)/b31-15+,32-16+InChIKey
YQTVVZHTEYPUMF-IHXWQEJPSA-NSynonyms
(12dioxoethane12diyl)bis((1E)hydrazin2yl1ylidene(E)methylylidenebenzene41diyl)bis(35dinitrobenzoate)
C1=CC(=CC=C1C=NNC(=O)C(=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=1SC30H18N8O14c3927(333115171525(6217)5129(41)19921(35(43)44)1322(1019)36(45)46)28(40)343216183726(8418)5230(42)201123(37(47)48)1424(1220)38(49)50h116H(H3339)(H3440)b3115+3216+
MFCD00824732
O=C(C(=O)NN=Cc1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NN=Cc1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000169683712
ZINC195863811
Check stock
See real-time availability and sample size for STK672558 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.