Vitas-M small molecule compound
6-bromo-4-nitro-2-oxo-1,3-benzoxathiol-5-yl methyl carbonate
Catalog ID
STK754655
SMILES COC(=O)Oc1c(Br)cc2c(c1[N+](=O)[O-])sc(=O)o2
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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 C9H4BrNO7S MW 350.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H4BrNO7S/c1-16-8(12)18-6-3(10)2-4-7(5(6)11(14)15)19-9(13)17-4/h2H,1H3InChIKey
IXXNRWWJTJCLIA-UHFFFAOYSA-NSynonyms
(6BROMO4NITRO2OXO13BENZOXATHIOL5YL)METHYLCARBONATE
6bromo4nitro2oxo13benzoxathiol5ylmethylcarbonate
6BROMO4NITRO2OXOBENZO(34D)13OXATHIOLEN5YLMETHOXYFORMATE
COC(=O)OC1=C(C=C2C(=C1(N+)(=O)(O))SC(=O)O2)Br
COC(=O)Oc1c(Br)cc2c(c1(N+)(=O)(O))sc(=O)o2
InChI=1SC9H4BrNO7Sc1168(12)1863(10)247(5(6)11(14)15)199(13)174h2H1H3
MFCD00826346
ZINC000001445389
ZINC01445389
ZINC1445389
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