Vitas-M small molecule compound
4-{(3E)-2-(3-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
Catalog ID
STL148987
SMILES OC(=O)CCCN1C(c2cccc(c2)F)/C(=C(/c2ccc(cc2)C)\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 C22H20FNO5 MW 397.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5/c1-13-7-9-14(10-8-13)20(27)18-19(15-4-2-5-16(23)12-15)24(22(29)21(18)28)11-3-6-17(25)26/h2,4-5,7-10,12,19,27H,3,6,11H2,1H3,(H,25,26)/b20-18+InChIKey
HPQLMSFOPOXKIH-CZIZESTLSA-NSynonyms
425396-09-44((3E)2(3fluorophenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
4(2(3FLUOROPHENYL)4HYDROXY3(4METHYLBENZOYL)5OXO25DIHYDRO1HPYRROL1YL)BUTANOICACID
425396094
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC(=CC=C3)F)O
InChI=1SC22H20FNO5c1137914(10813)20(27)1819(1542516(23)1215)24(22(29)21(18)28)113617(25)26h245710121927H3611H21H3(H2526)b2018+
MFCD03807707
OC(=O)CCCN1C(c2cccc(c2)F)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
ZINC000102928799
ZINC000102928803
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