Vitas-M small molecule compound
6-chloro-2-oxo-1,3-benzoxathiol-5-yl 4-nitrobenzenesulfonate
Catalog ID
STL297796
SMILES O=c1oc2c(s1)cc(c(c2)Cl)OS(=O)(=O)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 C13H6ClNO7S2 MW 387.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H6ClNO7S2/c14-9-5-11-12(23-13(16)21-11)6-10(9)22-24(19,20)8-3-1-7(2-4-8)15(17)18/h1-6HInChIKey
MFRHPELOQVOJOC-UHFFFAOYSA-NSynonyms
316358-15-3(6CHLORO2OXO13BENZOXATHIOL5YL)4NITROBENZENESULFONATE
316358153
6chloro2oxo13benzoxathiol5yl4nitrobenzenesulfonate
6chloro2oxobenzo(d)(13)oxathiol5yl4nitrobenzenesulfonate
C1=CC(=CC=C1(N+)(=O)(O))S(=O)(=O)OC2=C(C=C3C(=C2)SC(=O)O3)Cl
InChI=1SC13H6ClNO7S2c14951112(2313(16)2111)610(9)2224(1920)8317(248)15(17)18h16H
MFCD00389436
O=c1oc2c(s1)cc(c(c2)Cl)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002361838
ZINC02361838
ZINC2361838
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