Vitas-M small molecule compound
4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 3-nitrobenzoate
Catalog ID
STK269175
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)OC(=O)c1cccc(c1)[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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-13-5-10-18-19(11-13)21(26)23(20(18)25)15-6-8-17(9-7-15)30-22(27)14-3-2-4-16(12-14)24(28)29/h2-4,6-9,12-13,18-19H,5,10-11H2,1H3InChIKey
RQYNFXLABWOWGX-UHFFFAOYSA-NSynonyms
(4(5methyl13dioxo3a45677ahexahydroisoindol2yl)phenyl)3nitrobenzoate
4(5methyl13dioxooctahydro2Hisoindol2yl)phenyl3nitrobenzoate
CC1CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)OC(=O)c1cccc(c1)(N+)(=O)(O)
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H20N2O6c1135101819(1113)21(26)23(20(18)25)156817(9715)3022(27)1432416(1214)24(28)29h246912131819H51011H21H3
MFCD02020248
ZINC000017986627
ZINC000239403238
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