Vitas-M small molecule compound
3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Catalog ID
STL046660
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCC(=O)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 C22H20ClNO6 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO6/c1-2-30-16-9-5-13(6-10-16)19-18(20(27)14-3-7-15(23)8-4-14)21(28)22(29)24(19)12-11-17(25)26/h3-10,19,27H,2,11-12H2,1H3,(H,25,26)/b20-18+InChIKey
NXVCPCJMPJPQEQ-CZIZESTLSA-NSynonyms
440096-77-53((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4ethoxyphenyl)45dioxopyrrolidin1yl)propanoicacid
3((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN1YL)PROPANOICACID
440096775
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCC(=O)O
CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)O)C(=O)C(=O)N1CCC(=O)O
InChI=1SC22H20ClNO6c1230169513(61016)1918(20(27)143715(23)8414)21(28)22(29)24(19)121117(25)26h3101927H21112H21H3(H2526)b2018+
MFCD03809515
ZINC000102881262
ZINC000102881266
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