Vitas-M small molecule compound

(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(2-fluorophenyl)methanone

Catalog ID
STK755172
SMILES CCC1=NN(C(C1)(O)c1ccccc1)C(=O)c1ccccc1F

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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 C18H17FN2O2 MW 312.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN2O2/c1-2-14-12-18(23,13-8-4-3-5-9-13)21(20-14)17(22)15-10-6-7-11-16(15)19/h3-11,23H,2,12H2,1H3
InChIKey
XIJRTXNQNNACLB-UHFFFAOYSA-N
Synonyms

(3ethyl5hydroxy5phenyl45dihydro1Hpyrazol1yl)(2fluorophenyl)methanone
(3ETHYL5HYDROXY5PHENYL4HPYRAZOL1YL)(2FLUOROPHENYL)METHANONE
CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3F
InChI=1SC18H17FN2O2c12141218(23138435913)21(2014)17(22)1510671116(15)19h31123H212H21H3
MFCD00782010
ZINC000000063066
ZINC000000063067

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Available files

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