Vitas-M small molecule compound
ethyl 2-[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL019622
SMILES CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)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 C26H21Cl3N2O5S MW 579.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl3N2O5S/c1-4-35-26(34)19-12(2)13(3)37-25(19)30-23(32)20-21(17-10-7-15(28)11-18(17)29)31(36-22(20)24(30)33)16-8-5-14(27)6-9-16/h5-11,20-22H,4H2,1-3H3InChIKey
JTYPFJWUCDYBCH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl
ETHYL2(2(4CHLOROPHENYL)3(24DICHLOROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2(2(4chlorophenyl)3(24dichlorophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
InChI=1SC26H21Cl3N2O5Sc143526(34)1912(2)13(3)3725(19)3023(32)2021(1710715(28)1118(17)29)31(3622(20)24(30)33)168514(27)6916h5112022H4H213H3
MFCD02971096
ZINC000102860568
ZINC000238900762
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