Vitas-M small molecule compound

cyclohexane-1,1-diyldibenzene-4,1-diyl bis(3,5-dinitrobenzoate)

Catalog ID
STK369057
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)C1(CCCCC1)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 C32H24N4O12 MW 656.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24N4O12/c37-30(20-14-24(33(39)40)18-25(15-20)34(41)42)47-28-8-4-22(5-9-28)32(12-2-1-3-13-32)23-6-10-29(11-7-23)48-31(38)21-16-26(35(43)44)19-27(17-21)36(45)46/h4-11,14-19H,1-3,12-13H2
InChIKey
KYILBQBESDXVIN-UHFFFAOYSA-N
Synonyms
215781-78-5
(4(1(4(35DINITROBENZOYL)OXYPHENYL)CYCLOHEXYL)PHENYL)35DINITROBENZOATE
215781785
C1CCC(CC1)(C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))C4=CC=C(C=C4)OC(=O)C5=CC(=CC(=C5)(N+)(=O)(O))(N+)(=O)(O)
cyclohexane11diyldibenzene41diylbis(35dinitrobenzoate)
InChI=1SC32H24N4O12c3730(201424(33(39)40)1825(1520)34(41)42)47288422(5928)32(122131332)2361029(11723)4831(38)211626(35(43)44)1927(1721)36(45)46h4111419H131213H2
MFCD00301811
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000150391318
ZINC150391318

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Available files

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