Vitas-M small molecule compound

1,1'-(E)-ethene-1,2-diylbis(2,4,6-trinitrobenzene)

Catalog ID
STK695193
SMILES [O-][N+](=O)c1cc(cc(c1/C=C/c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[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 C14H6N6O12 MW 450.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H/b2-1+
InChIKey
YSIBQULRFXITSW-OWOJBTEDSA-N
Synonyms
20062-22-0
(O)(N+)(=O)c1cc(cc(c1C=Cc1c(cc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
11(12ETHENEDIYL)BIS(246TRINITROBENZENE)
11(E)ethene12diylbis(246trinitrobenzene)
11ETHENE12DIYLBIS(246TRINITROBENZENE)
12ETHENEDIYL)BIS(246TRINITROBENZENE)
135TRINITRO2((E)2(246TRINITROPHENYL)ETHENYL)BENZENE
2((1E)2(246TRINITROPHENYL)VINYL)135TRINITROBENZENE
20062220
BENZENE1(12ETHENEDIYL)BIS(246TRINITRO
BENZENE11(12ETHENEDIYL)BIS(246TRINITRO
C1=C(C=C(C(=C1(N+)(=O)(O))C=CC2=C(C=C(C=C2(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H6N6O12c2115(22)7311(17(25)26)9(12(47)18(27)28)121013(19(29)30)58(16(23)24)614(10)20(31)32h16Hb21+
MFCD00325083
ZINC000100022231
ZINC100022231

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Available files

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