Vitas-M small molecule compound

3-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione

Catalog ID
STK742712
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)C=C1C(=O)OC2(OC1=O)CCCCC2

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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 C25H25ClO6 MW 456.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClO6/c1-2-29-22-15-17(10-11-21(22)30-16-18-8-4-5-9-20(18)26)14-19-23(27)31-25(32-24(19)28)12-6-3-7-13-25/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3
InChIKey
TYVMDHNBBOAZTL-UHFFFAOYSA-N
Synonyms
337500-63-7
3((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLENE)15DIOXASPIRO(55)UNDECANE24DIONE
3((4((2chlorophenyl)methoxy)3ethoxyphenyl)methylidene)15dioxaspiro(55)undecane24dione
3(4((2chlorobenzyl)oxy)3ethoxybenzylidene)15dioxaspiro(55)undecane24dione
337500637
9((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)711DIOXASPIRO(55)UNDECANE810DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)OC3(CCCCC3)OC2=O)OCC4=CC=CC=C4Cl
InChI=1SC25H25ClO6c1229221517(101121(22)301618845920(18)26)141923(27)3125(3224(19)28)126371325h458111415H2367121316H21H3
MFCD01970566
ZINC000002378112
ZINC02378112
ZINC2378112

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Available files

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