Vitas-M small molecule compound
ethyl 2-[3-(2,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL019602
SMILES CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl
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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 C26H22Cl2N2O5S MW 545.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O5S/c1-4-34-26(33)19-13(2)14(3)36-25(19)29-23(31)20-21(17-11-10-15(27)12-18(17)28)30(35-22(20)24(29)32)16-8-6-5-7-9-16/h5-12,20-22H,4H2,1-3H3InChIKey
ODXIADHJUOJQLU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
ETHYL2(3(24DICHLOROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2(3(24dichlorophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
InChI=1SC26H22Cl2N2O5Sc143426(33)1913(2)14(3)3625(19)2923(31)2021(17111015(27)1218(17)28)30(3522(20)24(29)32)168657916h5122022H4H213H3
MFCD02970838
ZINC000102860609
ZINC000245241753
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