Vitas-M small molecule compound

ethyl 4'-(butanoylamino)-1'H-spiro[cyclopentane-1,2'-naphthalene]-3'-carboxylate

Catalog ID
STK061455
SMILES CCCC(=O)NC1=C(C(=O)OCC)C2(Cc3c1cccc3)CCCC2

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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 C21H27NO3 MW 341.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO3/c1-3-9-17(23)22-19-16-11-6-5-10-15(16)14-21(12-7-8-13-21)18(19)20(24)25-4-2/h5-6,10-11H,3-4,7-9,12-14H2,1-2H3,(H,22,23)
InChIKey
WCEIHEOUONSCLC-UHFFFAOYSA-N
Synonyms
221238-99-9
221238999
CCCC(=O)NC1=C(C(=O)OCC)C2(Cc3c1cccc3)CCCC2
CCCC(=O)NC1=C(C2(CCCC2)CC3=CC=CC=C31)C(=O)OCC
ETHYL1(BUTANOYLAMINO)SPIRO(4HNAPHTHALENE31CYCLOPENTANE)2CARBOXYLATE
ETHYL4(BUTANOYLAMINO)1HSPIRO(CYCLOPENTANE12NAPHTHALENE)3CARBOXYLATE
ethyl4butyramido1Hspiro(cyclopentane12naphthalene)3carboxylate
InChI=1SC21H27NO3c13917(23)22191611651015(16)1421(12781321)18(19)20(24)2542h561011H34791214H212H3(H2223)
MFCD00381410
STK061455
ZINC000004764994
ZINC04764994
ZINC4764994

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Available files

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