Vitas-M small molecule compound
3-(4-bromo-2-fluorophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094872
SMILES Brc1ccc(c(c1)F)N1C(=O)NC2CC1(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 C17H13BrFN3O4 MW 422.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrFN3O4/c1-17-8-13(11-7-10(22(24)25)3-5-15(11)26-17)20-16(23)21(17)14-4-2-9(18)6-12(14)19/h2-7,13H,8H2,1H3,(H,20,23)InChIKey
YGAHYUOXVFXWJL-UHFFFAOYSA-NSynonyms
1291852-51-11291852511
3(4bromo2fluorophenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocin4one
Brc1ccc(c(c1)F)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=O)N2C4=C(C=C(C=C4)Br)F
InChI=1SC17H13BrFN3O4c117813(11710(22(24)25)3515(11)2617)2016(23)21(17)14429(18)612(14)19h2713H8H21H3(H2023)
MFCD18788201
ZINC000067240931
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