Vitas-M small molecule compound
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one
Catalog ID
STK864764
SMILES Oc1cc2sc(=O)oc2c(c1)c1ccc(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 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)7-1-3-8(4-2-7)14(17)18/h1-6,15HInChIKey
NGGKZEUPYOGAHM-UHFFFAOYSA-NSynonyms
417701-01-0417701010
5hydroxy7(4nitrophenyl)13benzoxathiol2one
5HYDROXY7(4NITROPHENYL)BENZO(13)OXATHIOL2ONE
5HYDROXY7(4NITROPHENYL)BENZO(D)(13)OXATHIOL2ONE
7(4NITROPHENYL)5OXIDANYL13BENZOXATHIOL2ONE
C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)O)(N+)(=O)(O)
InChI=1SC13H7NO5Sc159510(1211(69)2013(16)1912)7138(427)14(17)18h1615H
MFCD04155586
Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000533863
ZINC00533863
ZINC533863
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