Vitas-M small molecule compound

(4Z)-4-(aminomethylidene)-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK767551
SMILES CCCC1=NN(C(=O)/C/1=C\N)c1ccc(cc1)F

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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 C13H14FN3O MW 247.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14FN3O/c1-2-3-12-11(8-15)13(18)17(16-12)10-6-4-9(14)5-7-10/h4-8H,2-3,15H2,1H3/b11-8-
InChIKey
JNLDESXIZOHMNI-FLIBITNWSA-N
Synonyms

(4Z)4(aminomethylidene)2(4fluorophenyl)5propyl24dihydro3Hpyrazol3one
(4Z)4(AMINOMETHYLIDENE)2(4FLUOROPHENYL)5PROPYLPYRAZOL3ONE
4(AMINOMETHYLENE)1(4FLUOROPHENYL)3PROPYL12DIAZOLIN5ONE
CCCC1=NN(C(=O)C1=CN)c1ccc(cc1)F
CCCC1=NN(C(=O)C1=CN)C2=CC=C(C=C2)F
InChI=1SC13H14FN3Oc1231211(815)13(18)17(1612)10649(14)5710h48H2315H21H3b118
MFCD03034696
ZINC000017951526
ZINC17951526

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.