Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK845872
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O
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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 C28H28N2O5S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S/c1-6-35-27(34)25-17(5)29-28(36-25)30-22(19-13-11-18(12-14-19)15(2)3)21(24(32)26(30)33)23(31)20-9-7-16(4)8-10-20/h7-15,22,31H,6H2,1-5H3/b23-21+InChIKey
PCTSJWPFDBWXDI-XTQSDGFTSA-NSynonyms
384352-74-3384352743
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)C)O)C(=O)C2=O)C4=CC=C(C=C4)C(C)C)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)C)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ethyl2((3E)3(hydroxy(4methylphenyl)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC28H28N2O5Sc163527(34)2517(5)2928(3625)3022(19131118(121419)15(2)3)21(24(32)26(30)33)23(31)209716(4)81020h7152231H6H215H3b2321+
MFCD03818026
ZINC000102798391
ZINC000102798393
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