Vitas-M small molecule compound

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

Catalog ID
STK820989
SMILES N#Cc1c(=O)[nH]c(nc1c1ccc(cc1)C)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 C13H11N3OS MW 257.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3OS/c1-8-3-5-9(6-4-8)11-10(7-14)12(17)16-13(15-11)18-2/h3-6H,1-2H3,(H,15,16,17)
InChIKey
NNIQEEQFVMOEPQ-UHFFFAOYSA-N
Synonyms

2(METHYLTHIO)5CYANO6(4METHYLPHENYL)14DIHYDROPYRIMIDINE4ONE
2METHYLSULFANYL6OXO4(PTOLYL)1HPYRIMIDINE5CARBONITRILE
4(4methylphenyl)2(methylsulfanyl)6oxo16dihydropyrimidine5carbonitrile
5PYRIMIDINECARBONITRILE16DIHYDRO4(4METHYLPHENYL)2(METHYLTHIO)6OXO
5PYRIMIDINECARBONITRILE4HYDROXY6(4METHYLPHENYL)2(METHYLTHIO)
6(4METHYLPHENYL)2METHYLSULFANYL4OXO1HPYRIMIDINE5CARBONITRILE
CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC)C#N
InChI=1SC13H11N3OSc18359(648)1110(714)12(17)1613(1511)182h36H12H3(H151617)
MFCD03017375
N#Cc1c(=O)(nH)c(nc1c1ccc(cc1)C)SC
ZINC000016958921
ZINC16958921

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Available files

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