Vitas-M small molecule compound

(2E,6E)-2,6-bis(2,4-dichlorobenzylidene)-4-methylcyclohexanone

Catalog ID
STK993536
SMILES CC1C/C(=C\c2ccc(cc2Cl)Cl)/C(=O)/C(=C/c2ccc(cc2Cl)Cl)/C1

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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/c1-12-6-15(8-13-2-4-17(22)10-19(13)24)21(26)16(7-12)9-14-3-5-18(23)11-20(14)25/h2-5,8-12H,6-7H2,1H3/b15-8+,16-9+
InChIKey
CDBOJGPJMRWNAJ-BVXMOGEKSA-N
Synonyms

(2E6E)26BIS((24DICHLOROPHENYL)METHYLIDENE)4METHYLCYCLOHEXAN1ONE
(2E6E)26bis(24dichlorobenzylidene)4methylcyclohexanone
CC1CC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C1
CC1CC(=Cc2ccc(cc2Cl)Cl)C(=O)C(=Cc2ccc(cc2Cl)Cl)C1
InChI=1SC21H16Cl4Oc112615(8132417(22)1019(13)24)21(26)16(712)9143518(23)1120(14)25h25812H67H21H3b158+169+
MFCD02279073
ZINC000035317799
ZINC35317799

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Available files

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