Vitas-M small molecule compound
4-nitrophenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK253562
SMILES O=C1N(c2cccc(c2)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/c24-19-17-6-1-2-7-18(17)20(25)22(19)15-5-3-4-13(12-15)21(26)29-16-10-8-14(9-11-16)23(27)28/h3-5,8-12,17-18H,1-2,6-7H2InChIKey
AADNCSSTCXBZDF-UHFFFAOYSA-NSynonyms
(4nitrophenyl)3(13dioxo3a45677ahexahydroisoindol2yl)benzoate
4nitrophenyl3(13dioxooctahydro2Hisoindol2yl)benzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H18N2O6c241917612718(17)20(25)22(19)1553413(1215)21(26)291610814(91116)23(27)28h358121718H1267H2
MFCD03145977
O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)(N+)(=O)(O))C(=O)C2C1CCCC2
ZINC000002995482
ZINC000100915703
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