Vitas-M small molecule compound
cyclopentane-1,1-diyldibenzene-4,1-diyl bis(2,4-dinitrobenzoate)
Catalog ID
STK369059
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)C1(CCCC1)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 C31H22N4O12 MW 642.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N4O12/c36-29(25-13-7-21(32(38)39)17-27(25)34(42)43)46-23-9-3-19(4-10-23)31(15-1-2-16-31)20-5-11-24(12-6-20)47-30(37)26-14-8-22(33(40)41)18-28(26)35(44)45/h3-14,17-18H,1-2,15-16H2InChIKey
NKRQYTVWAAWKLS-UHFFFAOYSA-NSynonyms
(4(1(4(24DINITROBENZOYL)OXYPHENYL)CYCLOPENTYL)PHENYL)24DINITROBENZOATE
4((4(24DINITROPHENYLCARBONYLOXY)PHENYL)CYCLOPENTYL)PHENYL24DINITROBENZOATE
C1CCC(C1)(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)
cyclopentane11diyldibenzene41diylbis(24dinitrobenzoate)
InChI=1SC31H22N4O12c3629(2513721(32(38)39)1727(25)34(42)43)46239319(41023)31(15121631)2051124(12620)4730(37)2614822(33(40)41)1828(26)35(44)45h3141718H121516H2
MFCD00301812
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C1(CCCC1)c1ccc(cc1)OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000150391325
ZINC150391325
Check stock
See real-time availability and sample size for STK369059 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.