Vitas-M small molecule compound
(4E)-4-[4-(benzyloxy)-3-ethoxybenzylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK957554
SMILES CCOc1cc(ccc1OCc1ccccc1)/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 C27H23F3N2O3 MW 480.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O3/c1-3-34-25-15-20(12-13-24(25)35-17-19-8-5-4-6-9-19)14-23-18(2)31-32(26(23)33)22-11-7-10-21(16-22)27(28,29)30/h4-16H,3,17H2,1-2H3/b23-14+InChIKey
JEHNGYOJUDEEKX-OEAKJJBVSA-NSynonyms
(4E)4((3ETHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL3ONE
(4E)4(4(benzyloxy)3ethoxybenzylidene)5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one
4(4(BENZYLOXY)3ETHOXYBENZYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)OCC4=CC=CC=C4
CCOc1cc(ccc1OCc1ccccc1)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C
InChI=1SC27H23F3N2O3c1334251520(121324(25)3517198546919)142318(2)3132(26(23)33)221171021(1622)27(2829)30h416H317H212H3b2314+
MFCD01647768
ZINC000008431363
ZINC08431363
ZINC8431363
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