Vitas-M small molecule compound

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

Catalog ID
STK993239
SMILES CSC(=C1CCCC/C(=C/c2ccc(cc2)OC)/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 C18H22O2S2 MW 334.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O2S2/c1-20-15-10-8-13(9-11-15)12-14-6-4-5-7-16(17(14)19)18(21-2)22-3/h8-12H,4-7H2,1-3H3/b14-12-
InChIKey
UUIKMRNFDDUKCW-OWBHPGMISA-N
Synonyms

(7Z)2(bis(methylsulfanyl)methylidene)7((4methoxyphenyl)methylidene)cycloheptan1one
(7Z)2(bis(methylsulfanyl)methylidene)7(4methoxybenzylidene)cycloheptanone
COC1=CC=C(C=C1)C=C2CCCCC(=C(SC)SC)C2=O
CSC(=C1CCCCC(=Cc2ccc(cc2)OC)C1=O)SC
InChI=1SC18H22O2S2c1201510813(91115)1214645716(17(14)19)18(212)223h812H47H213H3b1412
MFCD18184804
ZINC000034691069
ZINC34691069

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Available files

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