Vitas-M small molecule compound
3-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK269646
SMILES CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)OC(=O)c1ccc(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 C22H18N2O6 MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6/c1-13-5-10-18-19(11-13)21(26)23(20(18)25)16-3-2-4-17(12-16)30-22(27)14-6-8-15(9-7-14)24(28)29/h2-9,12,18-19H,10-11H2,1H3InChIKey
POIAQCMMXQUSHM-UHFFFAOYSA-NSynonyms
(3(5METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)PHENYL)4NITROBENZOATE
3(5methyl13dioxo133a477ahexahydro2Hisoindol2yl)phenyl4nitrobenzoate
3(5METHYL13DIOXO473A7ATETRAHYDROISOINDOL2YL)PHENYL4NITROBENZOATE
CC1=CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H18N2O6c1135101819(1113)21(26)23(20(18)25)1632417(1216)3022(27)146815(9714)24(28)29h29121819H1011H21H3
MFCD02603978
ZINC000017986989
ZINC000102075857
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