Vitas-M small molecule compound
3-(2-bromophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094868
SMILES O=C1NC2CC(N1c1ccccc1Br)(C)Oc1c2cc(cc1)[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 C17H14BrN3O4 MW 404.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O4/c1-17-9-13(11-8-10(21(23)24)6-7-15(11)25-17)19-16(22)20(17)14-5-3-2-4-12(14)18/h2-8,13H,9H2,1H3,(H,19,22)InChIKey
UXUNRNMZLMDIDT-UHFFFAOYSA-NSynonyms
3(2bromophenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocin4one
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=O)N2C4=CC=CC=C4Br
InChI=1SC17H14BrN3O4c117913(11810(21(23)24)6715(11)2517)1916(22)20(17)14532412(14)18h2813H9H21H3(H1922)
MFCD18788200
O=C1NC2CC(N1c1ccccc1Br)(C)Oc1c2cc(cc1)(N+)(=O)(O)
ZINC000067240925
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