Vitas-M small molecule compound

4-[3-(4-fluorophenyl)-5-(2-hydroxy-5-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Catalog ID
STL227133
SMILES OC(=O)CCC(=O)N1N=C(CC1c1cc(C)ccc1O)c1ccc(cc1)F

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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 C20H19FN2O4 MW 370.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN2O4/c1-12-2-7-18(24)15(10-12)17-11-16(13-3-5-14(21)6-4-13)22-23(17)19(25)8-9-20(26)27/h2-7,10,17,24H,8-9,11H2,1H3,(H,26,27)
InChIKey
XKYABLFCULTFLX-UHFFFAOYSA-N
Synonyms
1403233-76-0
1403233760
4(3(4fluorophenyl)5(2hydroxy5methylphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(4fluorophenyl)3(2hydroxy5methylphenyl)34dihydropyrazol2yl)4oxobutanoicacid
CC1=CC(=C(C=C1)O)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)F
InChI=1SC20H19FN2O4c1122718(24)15(1012)171116(133514(21)6413)2223(17)19(25)8920(26)27h27101724H8911H21H3(H2627)
MFCD23700959
ZINC000080316254
ZINC000080316260

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Available files

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