Vitas-M small molecule compound
5-hydroxy-7-(3-nitrophenyl)-1,3-benzoxathiol-2-one
Catalog ID
STK731811
SMILES Oc1cc2sc(=O)oc2c(c1)c1cccc(c1)[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/c15-9-5-10(12-11(6-9)20-13(16)19-12)7-2-1-3-8(4-7)14(17)18/h1-6,15HInChIKey
TYFJIFKXPUEWAJ-UHFFFAOYSA-NSynonyms
638143-16-55hydroxy7(3nitrophenyl)13benzoxathiol2one
5hydroxy7(3nitrophenyl)benzo(d)(13)oxathiol2one
5HYDROXY7(3NITROPHENYL)BENZO(D)13OXATHIOLAN2ONE
638143165
C1=CC(=CC(=C1)(N+)(=O)(O))C2=CC(=CC3=C2OC(=O)S3)O
InChI=1SC13H7NO5Sc159510(1211(69)2013(16)1912)72138(47)14(17)18h1615H
MFCD04156273
Oc1cc2sc(=O)oc2c(c1)c1cccc(c1)(N+)(=O)(O)
ZINC000000534009
ZINC00534009
ZINC534009
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