Vitas-M small molecule compound

{1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone

Catalog ID
STL397259
SMILES O=C(c1ccn(n1)COc1cc(C)ccc1Cl)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 C16H18ClN3O2 MW 319.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClN3O2/c1-12-4-5-13(17)15(10-12)22-11-20-9-6-14(18-20)16(21)19-7-2-3-8-19/h4-6,9-10H,2-3,7-8,11H2,1H3
InChIKey
SJMDFRHKRVRECQ-UHFFFAOYSA-N
Synonyms
1005575-12-1
(1((2CHLORO5METHYLPHENOXY)METHYL)1HPYRAZOL3YL)(PYRROLIDIN1YL)METHANONE
(1((2CHLORO5METHYLPHENOXY)METHYL)PYRAZOL3YL)PYRROLIDIN1YLMETHANONE
1((2CHLORO5METHYLPHENOXY)METHYL)PYRAZOL3YLPYRROLIDINYLKETONE
1005575121
CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)N3CCCC3
InChI=1SC16H18ClN3O2c1124513(17)15(1012)2211209614(1820)16(21)19723819h46910H237811H21H3
MFCD04051294
ZINC000002798061
ZINC02798061
ZINC2798061

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Available files

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