Vitas-M small molecule compound
2,2-dimethyl-5,5-bis(4-nitrobenzyl)-1,3-dioxane-4,6-dione
Catalog ID
STK734683
SMILES O=C1OC(C)(C)OC(=O)C1(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[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 C20H18N2O8 MW 414.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O8/c1-19(2)29-17(23)20(18(24)30-19,11-13-3-7-15(8-4-13)21(25)26)12-14-5-9-16(10-6-14)22(27)28/h3-10H,11-12H2,1-2H3InChIKey
VSODMOTYJZXJOB-UHFFFAOYSA-NSynonyms
22DIMETHYL55BIS((4NITROPHENYL)METHYL)13DIOXANE46DIONE
22dimethyl55bis(4nitrobenzyl)13dioxane46dione
22DIMETHYL55DI(4NITROBENZYL)13DIOXANE46DIONE
CC1(OC(=O)C(C(=O)O1)(CC2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC20H18N2O8c119(2)2917(23)20(18(24)301911133715(8413)21(25)26)12145916(10614)22(27)28h310H1112H212H3
MFCD00760519
O=C1OC(C)(C)OC(=O)C1(Cc1ccc(cc1)(N+)(=O)(O))Cc1ccc(cc1)(N+)(=O)(O)
ZINC000003096119
ZINC03096119
ZINC3096119
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