Vitas-M small molecule compound

2-(4-methoxy-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK358838
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1

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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 C25H22N2O8 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O8/c1-34-20-8-7-13(11-18(20)27(32)33)19(28)12-35-25(31)16-3-2-4-17(10-16)26-23(29)21-14-5-6-15(9-14)22(21)24(26)30/h2-4,7-8,10-11,14-15,21-22H,5-6,9,12H2,1H3
InChIKey
YSUUEFUVIQSZLK-UHFFFAOYSA-N
Synonyms

2(4methoxy3nitrophenyl)2oxoethyl3(13dioxooctahydro2H47methanoisoindol2yl)benzoate
COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1
InChI=1SC25H22N2O8c134208713(1118(20)27(32)33)19(28)123525(31)1632417(1016)2623(29)21145615(914)22(21)24(26)30h2478101114152122H56912H21H3
MFCD02318829
ZINC000100795629
ZINC000101671867

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Available files

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