Vitas-M small molecule compound

(5Z)-2-[bis(methylsulfanyl)methylidene]-5-(3,4-dimethoxybenzylidene)cyclopentanone

Catalog ID
STK993227
SMILES CSC(=C1CC/C(=C/c2ccc(c(c2)OC)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 C17H20O3S2 MW 336.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20O3S2/c1-19-14-8-5-11(10-15(14)20-2)9-12-6-7-13(16(12)18)17(21-3)22-4/h5,8-10H,6-7H2,1-4H3/b12-9-
InChIKey
NYWBINJKWBUFJH-XFXZXTDPSA-N
Synonyms

(5Z)2(bis(methylsulfanyl)methylidene)5((34dimethoxyphenyl)methylidene)cyclopentan1one
(5Z)2(bis(methylsulfanyl)methylidene)5(34dimethoxybenzylidene)cyclopentanone
COC1=C(C=C(C=C1)C=C2CCC(=C(SC)SC)C2=O)OC
CSC(=C1CCC(=Cc2ccc(c(c2)OC)OC)C1=O)SC
InChI=1SC17H20O3S2c119148511(1015(14)202)9126713(16(12)18)17(213)224h5810H67H214H3b129
MFCD18184796
ZINC000051329781
ZINC51329781

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Available files

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