Vitas-M small molecule compound

1,1'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2,4-dinitrobenzene)

Catalog ID
STK388955
SMILES [O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C)[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 C27H20N4O10 MW 560.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O10/c1-27(2,17-3-9-21(10-4-17)40-25-13-7-19(28(32)33)15-23(25)30(36)37)18-5-11-22(12-6-18)41-26-14-8-20(29(34)35)16-24(26)31(38)39/h3-16H,1-2H3
InChIKey
AIGAJGQZLGJQDP-UHFFFAOYSA-N
Synonyms
10079-70-6
(O)(N+)(=O)c1cc(ccc1Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))(C)C)(N+)(=O)(O)
1(4(2(4(24DINITROPHENOXY)PHENYL)PROPAN2YL)PHENOXY)24DINITROBENZENE
10079706
11(propane22diylbis(benzene41diyloxy))bis(24dinitrobenzene)
CC(C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C3=CC=C(C=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC27H20N4O10c127(2173921(10417)402513719(28(32)33)1523(25)30(36)37)1851122(12618)412614820(29(34)35)1624(26)31(38)39h316H12H3
MFCD01046739
ZINC000001864492
ZINC1864492

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Available files

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