Vitas-M small molecule compound
methyl 2-[3-(4-fluorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Catalog ID
STL233272
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)F
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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 C19H13FN2O5 MW 368.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13FN2O5/c1-26-19(25)12-4-2-3-5-13(12)22-17(23)14-15(21-27-16(14)18(22)24)10-6-8-11(20)9-7-10/h2-9,14,16H,1H3InChIKey
HFNKGRNPSHGJEK-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)F
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1)F
InChI=1SC19H13FN2O5c12619(25)12423513(12)2217(23)1415(212716(14)18(22)24)106811(20)9710h291416H1H3
methyl2((3aR6aS)3(4fluorophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)benzoate
methyl2(3(4fluorophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
METHYL2(3(4FLUOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
MFCD07201611
ZINC000018209441
ZINC000103532616
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