Vitas-M small molecule compound

1-methyl-2-(methylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile

Catalog ID
STK763577
SMILES N#Cc1c(nc(n(c1=O)C)SC)c1ccccc1

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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 C13H11N3OS MW 257.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3OS/c1-16-12(17)10(8-14)11(15-13(16)18-2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
PFPMIKYWOXSUFN-UHFFFAOYSA-N
Synonyms

1methyl2(methylsulfanyl)6oxo4phenyl16dihydropyrimidine5carbonitrile
1METHYL2METHYLSULFANYL6OXO4PHENYL16DIHYDROPYRIMIDINE5CARBONITRILE
1METHYL2METHYLSULFANYL6OXO4PHENYLPYRIMIDINE5CARBONITRILE
CN1C(=O)C(=C(N=C1SC)C2=CC=CC=C2)C#N
InChI=1SC13H11N3OSc11612(17)10(814)11(1513(16)182)9643579h37H12H3
MFCD00446616
ZINC000000086536
ZINC00086536
ZINC86536

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Available files

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