Vitas-M small molecule compound
3-{(3Z)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}propanoic acid
Catalog ID
STK621549
SMILES COc1ccc(c(c1)OC)C1/C(=C(\c2ccccc2)/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 C22H21NO7 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7/c1-29-14-8-9-15(16(12-14)30-2)19-18(20(26)13-6-4-3-5-7-13)21(27)22(28)23(19)11-10-17(24)25/h3-9,12,19,26H,10-11H2,1-2H3,(H,24,25)/b20-18-InChIKey
HCEARNIHTNDCAS-ZZEZOPTASA-NSynonyms
3((3Z)2(24dimethoxyphenyl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin1yl)propanoicacid
COC1=CC(=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCC(=O)O)OC
COc1ccc(c(c1)OC)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1CCC(=O)O
InChI=1SC22H21NO7c129148915(16(1214)302)1918(20(26)136435713)21(27)22(28)23(19)111017(24)25h39121926H1011H212H3(H2425)b2018
MFCD03808318
ZINC000006786496
ZINC000006786499
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