Vitas-M small molecule compound

(4E)-4-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK112237
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(c(c1)F)N1CCCC1)c1ccccc1

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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 C21H20FN3O MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O/c1-15-18(21(26)25(23-15)17-7-3-2-4-8-17)13-16-9-10-20(19(22)14-16)24-11-5-6-12-24/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b18-13+
InChIKey
MTLQXCZVXIWMHD-QGOAFFKASA-N
Synonyms

(4E)4((3FLUORO4PYRROLIDIN1YLPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3FLUORO4(PYRROLIDIN1YL)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(c(c1)F)N1CCCC1)c1ccccc1
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCCC3)F)C4=CC=CC=C4
InChI=1SC21H20FN3Oc11518(21(26)25(2315)177324817)131691020(19(22)1416)2411561224h247101314H561112H21H3b1813+
MFCD03720758
ZINC000100312990
ZINC100312990

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Available files

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