Vitas-M small molecule compound
2-(2-bromo-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280802
SMILES O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1Br)[N+](=O)[O-])C=C3
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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 C16H13BrN2O4 MW 377.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O4/c17-11-7-10(19(22)23)5-6-12(11)18-15(20)13-8-1-2-9(4-3-8)14(13)16(18)21/h1-2,5-9,13-14H,3-4H2InChIKey
YIFWIYGNJAJPNK-UHFFFAOYSA-NSynonyms
2(2bromo4nitrophenyl)3a477atetrahydro1H47ethanoisoindole13(2H)dione
C1CC2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)(N+)(=O)(O))Br
InChI=1SC16H13BrN2O4c1711710(19(22)23)5612(11)1815(20)138129(438)14(13)16(18)21h12591314H34H2
MFCD02272741
O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1Br)(N+)(=O)(O))C=C3
ZINC000100185311
ZINC000229903335
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