Vitas-M small molecule compound

4-{(Z)-[1-(3-chloro-4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl propanoate

Catalog ID
STL432530
SMILES CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)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 C21H18ClFN2O4 MW 416.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN2O4/c1-4-20(26)29-18-8-5-13(10-19(18)28-3)9-15-12(2)24-25(21(15)27)14-6-7-17(23)16(22)11-14/h5-11H,4H2,1-3H3/b15-9-
InChIKey
JBWJWKMWTGYFNN-DHDCSXOGSA-N
Synonyms

(4((Z)(1(3chloro4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)2methoxyphenyl)propanoate
4((Z)(1(3chloro4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)F)Cl)C)OC
CCC(=O)Oc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)F)C
InChI=1SC21H18ClFN2O4c1420(26)29188513(1019(18)283)91512(2)2425(21(15)27)146717(23)16(22)1114h511H4H213H3b159
MFCD02909452
ZINC000005645350
ZINC05645350
ZINC5645350

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Available files

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