Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
Catalog ID
STK881931
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)COc1ccc(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 C22H15NO7S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15NO7S/c1-13-2-4-14(5-3-13)18-10-17(11-19-21(18)30-22(25)31-19)29-20(24)12-28-16-8-6-15(7-9-16)23(26)27/h2-11H,12H2,1H3InChIKey
HKDQOOBNJLPMBR-UHFFFAOYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)2(4nitrophenoxy)acetate
7(4methylphenyl)2oxo13benzoxathiol5yl(4nitrophenoxy)acetate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H15NO7Sc1132414(5313)181017(111921(18)3022(25)3119)2920(24)1228168615(7916)23(26)27h211H12H21H3
MFCD06645868
O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)COc1ccc(cc1)(N+)(=O)(O)
ZINC000016742464
ZINC16742464
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