Vitas-M small molecule compound
2-({(E)-[3-bromo-4-(dimethylamino)phenyl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL387416
SMILES O=C1N(/N=C/c2ccc(c(c2)Br)N(C)C)C(=O)C2C1C1C=CC2C1
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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 C18H18BrN3O2 MW 388.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O2/c1-21(2)14-6-3-10(7-13(14)19)9-20-22-17(23)15-11-4-5-12(8-11)16(15)18(22)24/h3-7,9,11-12,15-16H,8H2,1-2H3/b20-9+InChIKey
OQHXIIAULCPYIJ-AWQFTUOYSA-NSynonyms
2(((E)(3bromo4(dimethylamino)phenyl)methylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
CN(C)C1=C(C=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)Br
InChI=1SC18H18BrN3O2c121(2)146310(713(14)19)9202217(23)15114512(811)16(15)18(22)24h37911121516H8H212H3b209+
MFCD03546477
O=C1N(N=Cc2ccc(c(c2)Br)N(C)C)C(=O)C2C1C1C=CC2C1
ZINC000100938508
ZINC000245226855
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