Vitas-M small molecule compound

2-(4-chloro-3-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propan-1-one

Catalog ID
STK484451
SMILES O=C(C(Oc1ccc(c(c1)C)Cl)C)N1CCC2(CC1)OCCO2

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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 C17H22ClNO4 MW 339.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22ClNO4/c1-12-11-14(3-4-15(12)18)23-13(2)16(20)19-7-5-17(6-8-19)21-9-10-22-17/h3-4,11,13H,5-10H2,1-2H3
InChIKey
KOAGRLHJOBJZSP-UHFFFAOYSA-N
Synonyms

1(14DIOXA8AZASPIRO(45)DEC8YL)2(4CHLORO3METHYLPHENOXY)PROPAN1ONE
2(4chloro3methylphenoxy)1(14dioxa8azaspiro(45)dec8yl)propan1one
2(4chloro3methylphenoxy)1(14dioxa8azaspiro(45)decan8yl)propan1one
CC1=C(C=CC(=C1)OC(C)C(=O)N2CCC3(CC2)OCCO3)Cl
InChI=1SC17H22ClNO4c1121114(3415(12)18)2313(2)16(20)197517(6819)219102217h341113H510H212H3
MFCD08725117
ZINC000013325967
ZINC000013325969

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Available files

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