Vitas-M small molecule compound

{4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile

Catalog ID
STL388073
SMILES N#CCOc1c(I)cc(cc1OC)C=C1C(=O)NC(=S)NC1=O

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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 C14H10IN3O4S MW 443.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10IN3O4S/c1-21-10-6-7(5-9(15)11(10)22-3-2-16)4-8-12(19)17-14(23)18-13(8)20/h4-6H,3H2,1H3,(H2,17,18,19,20,23)
InChIKey
CPGHNFDQBRCVEY-UHFFFAOYSA-N
Synonyms

(4((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2iodo6methoxyphenoxy)acetonitrile
2(4((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2IODO6METHOXYPHENOXY)ACETONITRILE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC#N
InChI=1SC14H10IN3O4Sc1211067(59(15)11(10)223216)4812(19)1714(23)1813(8)20h46H3H21H3(H21718192023)
MFCD02071606
ZINC000003771655
ZINC03771655
ZINC3771655

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Available files

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