Vitas-M small molecule compound
2-methoxy-4-[(Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]phenyl propanoate
Catalog ID
STK759816
SMILES CCC(=O)Oc1ccc(cc1OC)/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 C22H19F3N2O4 MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N2O4/c1-4-20(28)31-18-9-8-14(11-19(18)30-3)10-17-13(2)26-27(21(17)29)16-7-5-6-15(12-16)22(23,24)25/h5-12H,4H2,1-3H3/b17-10-InChIKey
DMZGKLFFOTZSQA-YVLHZVERSA-NSynonyms
(2METHOXY4((Z)(3METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL4YLIDENE)METHYL)PHENYL)PROPANOATE
2methoxy4((Z)(3methyl5oxo1(3(trifluoromethyl)phenyl)15dihydro4Hpyrazol4ylidene)methyl)phenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)OC
CCC(=O)Oc1ccc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
InChI=1SC22H19F3N2O4c1420(28)31189814(1119(18)303)101713(2)2627(21(17)29)1675615(1216)22(2324)25h512H4H213H3b1710
MFCD01572815
ZINC000012418374
ZINC12418374
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