Vitas-M small molecule compound

{1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone

Catalog ID
STK308686
SMILES O=C(c1ccn(n1)COc1cc(C)c(c(c1)C)Cl)N1CCCC1

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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 C17H20ClN3O2 MW 333.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN3O2/c1-12-9-14(10-13(2)16(12)18)23-11-21-8-5-15(19-21)17(22)20-6-3-4-7-20/h5,8-10H,3-4,6-7,11H2,1-2H3
InChIKey
OKOVXAPKGSSWMX-UHFFFAOYSA-N
Synonyms
1005604-11-4
(1((4chloro35dimethylphenoxy)methyl)1Hpyrazol3yl)(pyrrolidin1yl)methanone
(1((4CHLORO35DIMETHYLPHENOXY)METHYL)PYRAZOL3YL)PYRROLIDIN1YLMETHANONE
1((4CHLORO35DIMETHYLPHENOXY)METHYL)PYRAZOL3YLPYRROLIDINYLKETONE
1005604114
CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)N3CCCC3
InChI=1SC17H20ClN3O2c112914(1013(2)16(12)18)2311218515(1921)17(22)20634720h5810H346711H212H3
MFCD04051284
ZINC000002797922
ZINC02797922
ZINC2797922

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Available files

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