Vitas-M small molecule compound
4-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl acetate
Catalog ID
STK543885
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)Br
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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 C19H13BrN2O5 MW 429.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrN2O5/c1-10(23)26-14-8-6-13(7-9-14)22-18(24)15-16(21-27-17(15)19(22)25)11-2-4-12(20)5-3-11/h2-9,15,17H,1H3/t15-,17+/m1/s1InChIKey
XTDUOUPTDFOCFN-WBVHZDCISA-NSynonyms
956926-38-8(4((3aR6aS)3(4bromophenyl)46dioxo3a6adihydropyrrolo(34d)(12)oxazol5yl)phenyl)acetate
4((3aR6aS)3(4bromophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenylacetate
4((3aR6aS)3(4bromophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)phenylacetate
956926388
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)Br
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)ON=C2c1ccc(cc1)Br
InChI=1SC19H13BrN2O5c110(23)26148613(7914)2218(24)1516(212717(15)19(22)25)112412(20)5311h291517H1H3t1517+m1s1
MFCD18242110
ZINC000100840850
ZINC100840850
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