Vitas-M small molecule compound

bis(4-{(Z)-[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenyl) octanedioate

Catalog ID
STK671543
SMILES O=C(Oc1ccc(cc1)/C=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCCCCC(=O)Oc1ccc(cc1)/C=N\Nc1ccc(cc1[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 C34H30N8O12 MW 742.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N8O12/c43-33(53-27-13-7-23(8-14-27)21-35-37-29-17-11-25(39(45)46)19-31(29)41(49)50)5-3-1-2-4-6-34(44)54-28-15-9-24(10-16-28)22-36-38-30-18-12-26(40(47)48)20-32(30)42(51)52/h7-22,37-38H,1-6H2/b35-21-,36-22-
InChIKey
QLMPALYJNQAMFE-XEMPJQOTSA-N
Synonyms

BIS(4((Z)((24DINITROPHENYL)HYDRAZINYLIDENE)METHYL)PHENYL)OCTANEDIOATE
bis(4((Z)(2(24dinitrophenyl)hydrazinylidene)methyl)phenyl)octanedioate
C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))OC(=O)CCCCCCC(=O)OC3=CC=C(C=C3)C=NNC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC34H30N8O12c4333(532713723(81427)21353729171125(39(45)46)1931(29)41(49)50)53124634(44)542815924(101628)22363830181226(40(47)48)2032(30)42(51)52h7223738H16H2b35213622
MFCD00819938
O=C(Oc1ccc(cc1)C=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))CCCCCCC(=O)Oc1ccc(cc1)C=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000150352011
ZINC150594309

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.