Vitas-M small molecule compound
methyl 2-{4,6-dioxo-3-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}benzoate
Catalog ID
STK630186
SMILES COC(=O)c1ccccc1N1C(=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/c1-27-21(26)14-9-5-6-10-16(14)23-19(24)17-15(22-28-18(17)20(23)25)12-11-13-7-3-2-4-8-13/h2-12,17-18H,1H3/b12-11+InChIKey
RLPVGECMZHGKGW-VAWYXSNFSA-NSynonyms
951971-73-6(E)methyl2(46dioxo3styryl66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)benzoate
951971736
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)ON=C3C=CC4=CC=CC=C4
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C(=NO2)C=Cc1ccccc1
InChI=1SC21H16N2O5c12721(26)149561016(14)2319(24)1715(222818(17)20(23)25)1211137324813h2121718H1H3b1211+
methyl2(46dioxo3((E)2phenylethenyl)3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
methyl2(46dioxo3((E)2phenylethenyl)3a6adihydropyrrolo(34d)(12)oxazol5yl)benzoate
MFCD09858360
ZINC000013733807
ZINC000101509782
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