Vitas-M small molecule compound

(4E,8E)-4,8-bis(2,4-dichlorobenzylidene)-1-oxaspiro[2.5]octane

Catalog ID
STK993575
SMILES Clc1ccc(c(c1)Cl)/C=C/1\CCC/C(=C\c2ccc(cc2Cl)Cl)/C21CO2

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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 C21H16Cl4O MW 426.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl4O/c22-17-6-4-13(19(24)10-17)8-15-2-1-3-16(21(15)12-26-21)9-14-5-7-18(23)11-20(14)25/h4-11H,1-3,12H2/b15-8+,16-9+
InChIKey
DMTMKPWKVSZUIE-BVXMOGEKSA-N
Synonyms

(4E8E)48bis((24dichlorophenyl)methylidene)1oxaspiro(25)octane
(4E8E)48bis(24dichlorobenzylidene)1oxaspiro(25)octane
C1CC(=CC2=C(C=C(C=C2)Cl)Cl)C3(CO3)C(=CC4=C(C=C(C=C4)Cl)Cl)C1
Clc1ccc(c(c1)Cl)C=C1CCCC(=Cc2ccc(cc2Cl)Cl)C21CO2
InChI=1SC21H16Cl4Oc22176413(19(24)1017)81521316(21(15)122621)9145718(23)1120(14)25h411H1312H2b158+169+
MFCD18184904
ZINC000051330043
ZINC51330043

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Available files

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