Vitas-M small molecule compound
2-(2-bromo-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Catalog ID
STK280801
SMILES O=C1C2C(C(=O)N1c1ccc(cc1Br)[N+](=O)[O-])C1C3(C2C=C1)CC3
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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 C17H13BrN2O4 MW 389.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O4/c18-11-7-8(20(23)24)1-4-12(11)19-15(21)13-9-2-3-10(14(13)16(19)22)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2InChIKey
FFAHMWNZQNAWQE-UHFFFAOYSA-NSynonyms
2(2bromo4nitrophenyl)3a477atetrahydro1Hspiro(2aza47methanoisoindole81cyclopropane)13(2H)dione
C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=C(C=C(C=C5)(N+)(=O)(O))Br
InChI=1SC17H13BrN2O4c181178(20(23)24)1412(11)1915(21)1392310(14(13)16(19)22)17(9)5617h1479101314H56H2
MFCD02272738
O=C1C2C(C(=O)N1c1ccc(cc1Br)(N+)(=O)(O))C1C3(C2C=C1)CC3
ZINC000101359168
ZINC000101359178
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