Vitas-M small molecule compound
ethyl 4-[3-(2-chlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Catalog ID
STL347523
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(=NO2)c1ccccc1Cl
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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 C20H15ClN2O5 MW 398.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O5/c1-2-27-20(26)11-7-9-12(10-8-11)23-18(24)15-16(22-28-17(15)19(23)25)13-5-3-4-6-14(13)21/h3-10,15,17H,2H2,1H3InChIKey
XHJLRDJHRLTIKP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=CC=C4Cl
CCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccccc1Cl
ethyl4((3aR6aS)3(2chlorophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)benzoate
ethyl4(3(2chlorophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
ETHYL4(3(2CHLOROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
InChI=1SC20H15ClN2O5c122720(26)117912(10811)2318(24)1516(222817(15)19(23)25)13534614(13)21h3101517H2H21H3
MFCD28032263
ZINC000101193732
ZINC000101360736
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