Vitas-M small molecule compound
4-{(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
Catalog ID
STL150141
SMILES OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1Cl)Cl
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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 C22H19Cl2NO5 MW 448.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO5/c1-12-4-6-13(7-5-12)20(28)18-19(15-9-8-14(23)11-16(15)24)25(22(30)21(18)29)10-2-3-17(26)27/h4-9,11,19,28H,2-3,10H2,1H3,(H,26,27)/b20-18+InChIKey
AJFFRGMDCJEIRI-CZIZESTLSA-NSynonyms
4((3E)2(24dichlorophenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
4(2(24DICHLOROPHENYL)4HYDROXY3(4METHYLBENZOYL)5OXO25DIHYDRO1HPYRROL1YL)BUTANOICACID
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=C(C=C(C=C3)Cl)Cl)O
InChI=1SC22H19Cl2NO5c1124613(7512)20(28)1819(159814(23)1116(15)24)25(22(30)21(18)29)102317(26)27h49111928H2310H21H3(H2627)b2018+
MFCD03801576
OC(=O)CCCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(cc1Cl)Cl
ZINC000102930888
ZINC000102930890
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