Vitas-M small molecule compound
4-nitrophenyl 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK274638
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C(=O)Oc1ccc(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 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)16-4-2-3-14(12-16)22(27)30-17-8-6-15(7-9-17)24(28)29/h2-4,6-9,12-13,18-19H,5,10-11H2,1H3InChIKey
ZPXGUQWLFREOMR-UHFFFAOYSA-NSynonyms
(4nitrophenyl)3(5methyl13dioxo3a45677ahexahydroisoindol2yl)benzoate
4nitrophenyl3(5methyl13dioxooctahydro2Hisoindol2yl)benzoate
CC1CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C(=O)Oc1ccc(cc1)(N+)(=O)(O)
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H20N2O6c1135101819(1113)21(26)23(20(18)25)1642314(1216)22(27)30178615(7917)24(28)29h246912131819H51011H21H3
MFCD02871164
ZINC000018202544
ZINC000239439229
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