Vitas-M small molecule compound

(7Z)-2-[bis(methylsulfanyl)methylidene]-7-(4-chlorobenzylidene)cycloheptanone

Catalog ID
STK993238
SMILES CSC(=C1CCCC/C(=C/c2ccc(cc2)Cl)/C1=O)SC

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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 C17H19ClOS2 MW 338.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClOS2/c1-20-17(21-2)15-6-4-3-5-13(16(15)19)11-12-7-9-14(18)10-8-12/h7-11H,3-6H2,1-2H3/b13-11-
InChIKey
ZCPFZKBOWMUFAX-QBFSEMIESA-N
Synonyms

(7Z)2(BIS(METHYLSULFANYL)METHYLIDENE)7((4CHLOROPHENYL)METHYLIDENE)CYCLOHEPTAN1ONE
(7Z)2(bis(methylsulfanyl)methylidene)7(4chlorobenzylidene)cycloheptanone
CSC(=C1CCCCC(=CC2=CC=C(C=C2)Cl)C1=O)SC
CSC(=C1CCCCC(=Cc2ccc(cc2)Cl)C1=O)SC
InChI=1SC17H19ClOS2c12017(212)15643513(16(15)19)11127914(18)10812h711H36H212H3b1311
MFCD07284993
ZINC000006051862
ZINC06051862
ZINC6051862

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Available files

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