Vitas-M small molecule compound
1-[(5-bromo-2-fluorophenyl)sulfanyl]-2-methyl-3,5-dinitrobenzene
Catalog ID
STK755844
SMILES Brc1ccc(c(c1)Sc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])F
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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 C13H8BrFN2O4S MW 387.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8BrFN2O4S/c1-7-11(17(20)21)5-9(16(18)19)6-12(7)22-13-4-8(14)2-3-10(13)15/h2-6H,1H3InChIKey
WOOKWVFMEZLBFA-UHFFFAOYSA-NSynonyms
1((5bromo2fluorophenyl)sulfanyl)2methyl35dinitrobenzene
1(5BROMO2FLUOROPHENYL)SULFANYL2METHYL35DINITROBENZENE
24DINITRO6((2FLUORO5BROMOPHENYL)THIO)TOLUENE
3(5BROMO2FLUOROPHENYLTHIO)2METHYL15DINITROBENZENE
Brc1ccc(c(c1)Sc1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O))F
CC1=C(C=C(C=C1SC2=C(C=CC(=C2)Br)F)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H8BrFN2O4Sc1711(17(20)21)59(16(18)19)612(7)221348(14)2310(13)15h26H1H3
MFCD01113780
ZINC000004474749
ZINC04474749
ZINC4474749
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