Vitas-M small molecule compound
4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl 4-bromo-3-nitrobenzoate
Catalog ID
STK247810
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Br)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[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 C21H10BrN3O8 MW 512.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H10BrN3O8/c22-17-8-1-11(9-18(17)25(31)32)21(28)33-14-5-2-12(3-6-14)23-19(26)15-7-4-13(24(29)30)10-16(15)20(23)27/h1-10HInChIKey
PFONGNDBZJRXAU-UHFFFAOYSA-NSynonyms
(4(5nitro13dioxoisoindol2yl)phenyl)4bromo3nitrobenzoate
4(5nitro13dioxo13dihydro2Hisoindol2yl)phenyl4bromo3nitrobenzoate
C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))OC(=O)C4=CC(=C(C=C4)Br)(N+)(=O)(O)
InChI=1SC21H10BrN3O8c22178111(918(17)25(31)32)21(28)33145212(3614)2319(26)157413(24(29)30)1016(15)20(23)27h110H
MFCD00626095
O=C(c1ccc(c(c1)(N+)(=O)(O))Br)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
ZINC000003014139
ZINC3014139
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