Vitas-M small molecule compound
5-hydroxy-7-(2-nitrophenyl)-1,3-benzoxathiol-2-one
Catalog ID
STK864763
SMILES Oc1cc2sc(=O)oc2c(c1)c1ccccc1[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 C13H7NO5S MW 289.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7NO5S/c15-7-5-9(12-11(6-7)20-13(16)19-12)8-3-1-2-4-10(8)14(17)18/h1-6,15HInChIKey
PKCIITVQCFGKJK-UHFFFAOYSA-NSynonyms
638143-14-35hydroxy7(2nitrophenyl)13benzoxathiol2one
5HYDROXY7(2NITROPHENYL)BENZO(D)(13)OXATHIOL2ONE
638143143
C1=CC=C(C(=C1)C2=CC(=CC3=C2OC(=O)S3)O)(N+)(=O)(O)
InChI=1SC13H7NO5Sc15759(1211(67)2013(16)1912)8312410(8)14(17)18h1615H
MFCD04169025
Oc1cc2sc(=O)oc2c(c1)c1ccccc1(N+)(=O)(O)
ZINC000000538779
ZINC00538779
ZINC538779
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