Vitas-M small molecule compound
cyclohexane-1,1-diyldibenzene-4,1-diyl bis(2,4-dinitrobenzoate)
Catalog ID
STK388912
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(=O)c1ccc(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 C32H24N4O12 MW 656.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24N4O12/c37-30(26-14-8-22(33(39)40)18-28(26)35(43)44)47-24-10-4-20(5-11-24)32(16-2-1-3-17-32)21-6-12-25(13-7-21)48-31(38)27-15-9-23(34(41)42)19-29(27)36(45)46/h4-15,18-19H,1-3,16-17H2InChIKey
WIMHZLKYKUJISQ-UHFFFAOYSA-NSynonyms
301209-98-3(4(1(4(24DINITROBENZOYL)OXYPHENYL)CYCLOHEXYL)PHENYL)24DINITROBENZOATE
301209983
C1CCC(CC1)(C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C4=CC=C(C=C4)OC(=O)C5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
cyclohexane11diyldibenzene41diylbis(24dinitrobenzoate)
InChI=1SC32H24N4O12c3730(2614822(33(39)40)1828(26)35(43)44)472410420(51124)32(162131732)2161225(13721)4831(38)2715923(34(41)42)1929(27)36(45)46h4151819H131617H2
MFCD00301818
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000150410033
ZINC150410033
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.