Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate

Catalog ID
STK268347
SMILES O=C(CN1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)OCC(=O)c1cccc(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 C19H16Br2N2O7 MW 544.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Br2N2O7/c20-16-10-5-11(17(16)21)15-14(10)18(26)22(19(15)27)6-13(25)30-7-12(24)8-2-1-3-9(4-8)23(28)29/h1-4,10-11,14-17H,5-7H2
InChIKey
IYZKYXMTSYEFKX-UHFFFAOYSA-N
Synonyms

2(3nitrophenyl)2oxoethyl(56dibromo13dioxooctahydro2H47methanoisoindol2yl)acetate
C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC19H16Br2N2O7c201610511(17(16)21)1514(10)18(26)22(19(15)27)613(25)30712(24)82139(48)23(28)29h1410111417H57H2
MFCD01138220
O=C(CN1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000104246352
ZINC000239321964

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Available files

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