Vitas-M small molecule compound
4-{4,6-dioxo-3-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}phenyl acetate
Catalog ID
STK629903
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NO2)/C=C/c1ccccc1
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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 C21H16N2O5 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O5/c1-13(24)27-16-10-8-15(9-11-16)23-20(25)18-17(22-28-19(18)21(23)26)12-7-14-5-3-2-4-6-14/h2-12,18-19H,1H3/b12-7+InChIKey
DIHZOXZKSINMGQ-KPKJPENVSA-NSynonyms
951947-60-7(4(46dioxo3((E)2phenylethenyl)3a6adihydropyrrolo(34d)(12)oxazol5yl)phenyl)acetate
(E)4(46dioxo3styryl66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)phenylacetate
4(46dioxo3((E)2phenylethenyl)3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)phenylacetate
951947607
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C=CC4=CC=CC=C4
CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NO2)C=Cc1ccccc1
InChI=1SC21H16N2O5c113(24)271610815(91116)2320(25)1817(222819(18)21(23)26)127145324614h2121819H1H3b127+
MFCD09853564
ZINC000013692627
ZINC000101500304
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