Vitas-M small molecule compound

methyl 4-[3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoate

Catalog ID
STL438087
SMILES COC(=O)CC(c1ccccc1)CN1C(=O)C(=C(C1c1cccc(c1)F)C(=O)C)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 C23H22FNO5 MW 411.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FNO5/c1-14(26)20-21(16-9-6-10-18(24)11-16)25(23(29)22(20)28)13-17(12-19(27)30-2)15-7-4-3-5-8-15/h3-11,17,21,28H,12-13H2,1-2H3
InChIKey
MLACUOPCPKGEAQ-UHFFFAOYSA-N
Synonyms

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CC(CC(=O)OC)C3=CC=CC=C3)O
InChI=1SC23H22FNO5c114(26)2021(16961018(24)1116)25(23(29)22(20)28)1317(1219(27)302)157435815h311172128H1213H212H3
METHYL(3R)4((2R)3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL1YL)3PHENYLBUTANOATE
METHYL(3R)4((2S)3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL1YL)3PHENYLBUTANOATE
METHYL(3S)4((2R)3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL1YL)3PHENYLBUTANOATE
METHYL(3S)4((2S)3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO25DIHYDRO1HPYRROL1YL)3PHENYLBUTANOATE
methyl4(3acetyl2(3fluorophenyl)4hydroxy5oxo25dihydro1Hpyrrol1yl)3phenylbutanoate
METHYL4(3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO2HPYRROL1(5H)YL)3PHENYLBUTANOATE
METHYL4(3ACETYL2(3FLUOROPHENYL)4HYDROXY5OXO2HPYRROL1YL)3PHENYLBUTANOATE
MFCD02161165
ZINC000001413209
ZINC000001413212

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.