Vitas-M small molecule compound
3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Catalog ID
STL051869
SMILES COc1ccc(cc1C1N(CCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O)OC
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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 C22H20ClNO7 MW 445.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO7/c1-30-14-7-8-16(31-2)15(11-14)19-18(20(27)12-3-5-13(23)6-4-12)21(28)22(29)24(19)10-9-17(25)26/h3-8,11,19,27H,9-10H2,1-2H3,(H,25,26)/b20-18+InChIKey
CXJUJNFIVOJWHZ-CZIZESTLSA-NSynonyms
440096-76-43((3E)3((4chlorophenyl)(hydroxy)methylidene)2(25dimethoxyphenyl)45dioxopyrrolidin1yl)propanoicacid
3((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(25DIMETHOXYPHENYL)45DIOXOPYRROLIDIN1YL)PROPANOICACID
440096764
COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCC(=O)O
COc1ccc(cc1C1N(CCC(=O)O)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)O)OC
InChI=1SC22H20ClNO7c130147816(312)15(1114)1918(20(27)123513(23)6412)21(28)22(29)24(19)10917(25)26h38111927H910H212H3(H2526)b2018+
MFCD05727319
ZINC000006239638
ZINC000102889248
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