Vitas-M small molecule compound
methyl 2-{(3E)-2-(3,4-dichlorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052411
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccccc2)\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 C23H16Cl2N2O5S MW 503.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O5S/c1-11-20(22(31)32-2)33-23(26-11)27-17(13-8-9-14(24)15(25)10-13)16(19(29)21(27)30)18(28)12-6-4-3-5-7-12/h3-10,17,28H,1-2H3/b18-16+InChIKey
TXISKOCCAGBZAZ-FBMGVBCBSA-NSynonyms
371235-14-2371235142
CC1=C(SC(=N1)N2C(C(=C(C3=CC=CC=C3)O)C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccccc2)O)C(=O)C1=O
InChI=1SC23H16Cl2N2O5Sc11120(22(31)322)3323(2611)2717(138914(24)15(25)1013)16(19(29)21(27)30)18(28)126435712h3101728H12H3b1816+
methyl2((3E)2(34dichlorophenyl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(34DICHLOROPHENYL)3HYDROXY2OXO4(PHENYLCARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD05732949
ZINC000102889385
ZINC000102889387
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