Vitas-M small molecule compound
4-nitrophenyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK253691
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+](=O)[O-])C(=O)C2C1CCCC2
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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c24-19-17-3-1-2-4-18(17)20(25)22(19)14-7-5-13(6-8-14)21(26)29-16-11-9-15(10-12-16)23(27)28/h5-12,17-18H,1-4H2InChIKey
ZFAOYYYAQQDPJK-UHFFFAOYSA-NSynonyms
(4nitrophenyl)4(13dioxo3a45677ahexahydroisoindol2yl)benzoate
4nitrophenyl4(13dioxooctahydro2Hisoindol2yl)benzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H18N2O6c241917312418(17)20(25)22(19)147513(6814)21(26)291611915(101216)23(27)28h5121718H14H2
MFCD03145755
O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1CCCC2
ZINC000002994602
ZINC000100913061
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