Vitas-M small molecule compound
{2-[(E)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]phenoxy}acetic acid
Catalog ID
STL174078
SMILES OC(=O)COc1ccccc1/C=C/1\C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
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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 C20H15F3N2O4 MW 404.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N2O4/c1-12-16(9-13-5-2-3-8-17(13)29-11-18(26)27)19(28)25(24-12)15-7-4-6-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,26,27)/b16-9+InChIKey
ANIYWSHFAAXLBD-CXUHLZMHSA-NSynonyms
354546-75-1(2((E)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)phenoxy)aceticacid
2(2((E)(3METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL4YLIDENE)METHYL)PHENOXY)ACETICACID
354546751
CC1=NN(C(=O)C1=CC2=CC=CC=C2OCC(=O)O)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC20H15F3N2O4c11216(913523817(13)291118(26)27)19(28)25(2412)1574614(1015)20(2122)23h210H11H21H3(H2627)b169+
MFCD01447941
OC(=O)COc1ccccc1C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
ZINC000100147727
ZINC100147727
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