Vitas-M small molecule compound
2-(3-acetylphenyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK156155
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(c1)C(=O)C)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 C22H14N2O6 MW 402.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O6/c1-13(25)14-3-2-4-16(11-14)23-21(26)19-10-9-18(12-20(19)22(23)27)30-17-7-5-15(6-8-17)24(28)29/h2-12H,1H3InChIKey
OBVVDIZPDCKTMB-UHFFFAOYSA-NSynonyms
1ACETYL3(5(4NITROPHENOXY)13DIOXOBENZO(C)AZOLIDIN2YL)BENZENE
2(3ACETYLPHENYL)5(4NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(3ACETYLPHENYL)5(4NITROPHENOXY)ISOINDOLE13DIONE
CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H14N2O6c113(25)1432416(1114)2321(26)1910918(1220(19)22(23)27)30177515(6817)24(28)29h212H1H3
MFCD00779562
O=C1c2cc(ccc2C(=O)N1c1cccc(c1)C(=O)C)Oc1ccc(cc1)(N+)(=O)(O)
ZINC000001213882
ZINC01213882
ZINC1213882
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