Vitas-M small molecule compound
cyclopentane-1,1-diylbis-2-methylbenzene-4,1-diyl bis(2-nitrobenzoate)
Catalog ID
STK369081
SMILES Cc1cc(ccc1OC(=O)c1ccccc1[N+](=O)[O-])C1(CCCC1)c1ccc(c(c1)C)OC(=O)c1ccccc1[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 C33H28N2O8 MW 580.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O8/c1-21-19-23(13-15-29(21)42-31(36)25-9-3-5-11-27(25)34(38)39)33(17-7-8-18-33)24-14-16-30(22(2)20-24)43-32(37)26-10-4-6-12-28(26)35(40)41/h3-6,9-16,19-20H,7-8,17-18H2,1-2H3InChIKey
WXQQMLKXXAGRBM-UHFFFAOYSA-NSynonyms
(2METHYL4(1(3METHYL4(2NITROBENZOYL)OXYPHENYL)CYCLOPENTYL)PHENYL)2NITROBENZOATE
4(1(4((2NITROBENZOYL)OXY)3METHYLPHENYL)CYCLOPENTYL)2METHYLPHENYL2NITROBENZOATE
CC1=C(C=CC(=C1)C2(CCCC2)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4(N+)(=O)(O))C)OC(=O)C5=CC=CC=C5(N+)(=O)(O)
Cc1cc(ccc1OC(=O)c1ccccc1(N+)(=O)(O))C1(CCCC1)c1ccc(c(c1)C)OC(=O)c1ccccc1(N+)(=O)(O)
cyclopentane11diylbis2methylbenzene41diylbis(2nitrobenzoate)
InChI=1SC33H28N2O8c1211923(131529(21)4231(36)259351127(25)34(38)39)33(17781833)24141630(22(2)2024)4332(37)2610461228(26)35(40)41h369161920H781718H212H3
MFCD00311649
ZINC000004017317
ZINC4017317
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.