Vitas-M small molecule compound

ethyl 1-{[5-(2-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]methyl}piperidine-4-carboxylate

Catalog ID
STK679081
SMILES CCOC(=O)C1CCN(CC1)Cn1nc(oc1=S)c1ccccc1Cl

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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 C17H20ClN3O3S MW 381.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN3O3S/c1-2-23-16(22)12-7-9-20(10-8-12)11-21-17(25)24-15(19-21)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3
InChIKey
DHWXDUZMVCCQEE-UHFFFAOYSA-N
Synonyms

1(5(2CHLOROPHENYL)2THIOXO(134)OXADIAZOL3YLMETHYL)PIPERIDINE4CARBOXYLICACIDETHYLESTER
CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3Cl
ETHYL1((5(2CHLOROPHENYL)2SULFANYLIDENE134OXADIAZOL3YL)METHYL)PIPERIDINE4CARBOXYLATE
ethyl1((5(2chlorophenyl)2thioxo134oxadiazol3(2H)yl)methyl)piperidine4carboxylate
InChI=1SC17H20ClN3O3Sc122316(22)127920(10812)112117(25)2415(1921)13534614(13)18h3612H2711H21H3
MFCD03175061
ZINC000003620398
ZINC3620398

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Available files

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