Vitas-M small molecule compound
2-(3-acetylphenyl)-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK156014
SMILES O=C1N(c2cccc(c2)C(=O)C)C(=O)c2c1cc(cc2)Oc1cccc(c1)[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)14-4-2-5-15(10-14)23-21(26)19-9-8-18(12-20(19)22(23)27)30-17-7-3-6-16(11-17)24(28)29/h2-12H,1H3InChIKey
KWQNWPGVZMYHCY-UHFFFAOYSA-NSynonyms
2(3ACETYLPHENYL)5(3NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(3ACETYLPHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
CC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)(N+)(=O)(O)
InChI=1SC22H14N2O6c113(25)1442515(1014)2321(26)199818(1220(19)22(23)27)301773616(1117)24(28)29h212H1H3
MFCD00334656
O=C1N(c2cccc(c2)C(=O)C)C(=O)c2c1cc(cc2)Oc1cccc(c1)(N+)(=O)(O)
ZINC000000842491
ZINC00842491
ZINC842491
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