Vitas-M small molecule compound

(4Z)-4-(3-chloro-4,5-diethoxybenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK958339
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)cc(c1OCC)Cl

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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 C22H20ClF3N2O3 MW 452.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClF3N2O3/c1-4-30-19-11-14(10-18(23)20(19)31-5-2)9-17-13(3)27-28(21(17)29)16-8-6-7-15(12-16)22(24,25)26/h6-12H,4-5H2,1-3H3/b17-9-
InChIKey
WETIQNYMWHTSHR-MFOYZWKCSA-N
Synonyms
328978-09-2
(4Z)4((3chloro45diethoxyphenyl)methylidene)5methyl2(3(trifluoromethyl)phenyl)pyrazol3one
(4Z)4(3chloro45diethoxybenzylidene)5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one
328978092
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)Cl)OCC
CCOc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)cc(c1OCC)Cl
InChI=1SC22H20ClF3N2O3c1430191114(1018(23)20(19)3152)91713(3)2728(21(17)29)1686715(1216)22(2425)26h612H45H213H3b179
MFCD02054153
ZINC000015930888
ZINC15930888

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Available files

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