Vitas-M small molecule compound

2-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate

Catalog ID
STK299808
SMILES CC(=O)Oc1ccccc1N1C(=O)c2c(C1=O)cc(cc2)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 C22H14N2O7 MW 418.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O7/c1-13(25)30-20-5-3-2-4-19(20)23-21(26)17-11-10-16(12-18(17)22(23)27)31-15-8-6-14(7-9-15)24(28)29/h2-12H,1H3
InChIKey
YYQKOHCEJLALAW-UHFFFAOYSA-N
Synonyms
331656-14-5
(2(5(4nitrophenoxy)13dioxoisoindol2yl)phenyl)acetate
2(5((4NITROPHENYL)OXY)13DIOXO13DIHYDRO2HISOINDOL2YL)PHENYLACETATE
2(5(4nitrophenoxy)13dioxo13dihydro2Hisoindol2yl)phenylacetate
2(5(4nitrophenoxy)13dioxoisoindolin2yl)phenylacetate
331656145
CC(=O)OC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
CC(=O)Oc1ccccc1N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H14N2O7c113(25)3020532419(20)2321(26)17111016(1218(17)22(23)27)31158614(7915)24(28)29h212H1H3
MFCD00331243
ZINC000000975843
ZINC00975843
ZINC975843

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Available files

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