Vitas-M small molecule compound
2-(2-hydroxy-5-methylphenyl)-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK156170
SMILES Cc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)[N+](=O)[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 C21H14N2O6 MW 390.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O6/c1-12-5-8-19(24)18(9-12)22-20(25)16-7-6-15(11-17(16)21(22)26)29-14-4-2-3-13(10-14)23(27)28/h2-11,24H,1H3InChIKey
SNWGSAKXTZOPSS-UHFFFAOYSA-NSynonyms
2(2HYDROXY5METHYLPHENYL)5(3NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(2HYDROXY5METHYLPHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
CC1=CC(=C(C=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)(N+)(=O)(O)
Cc1ccc(c(c1)N1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)(N+)(=O)(O))O
InChI=1SC21H14N2O6c1125819(24)18(912)2220(25)167615(1117(16)21(22)26)291442313(1014)23(27)28h21124H1H3
MFCD01137068
ZINC000004695668
ZINC04695668
ZINC4695668
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