Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-4-hydroxy-6-(4-methylphenyl)pyrimidine-5-carbonitrile
Catalog ID
STK167120
SMILES N#Cc1c(O)nc(nc1c1ccc(cc1)C)SCc1ccc(cc1)Br
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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 C19H14BrN3OS MW 412.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3OS/c1-12-2-6-14(7-3-12)17-16(10-21)18(24)23-19(22-17)25-11-13-4-8-15(20)9-5-13/h2-9H,11H2,1H3,(H,22,23,24)InChIKey
DGOPPGAAOXWPHD-UHFFFAOYSA-NSynonyms
2((4BROMOBENZYL)SULFANYL)4HYDROXY6(4METHYLPHENYL)PYRIMIDINE5CARBONITRILE
2((4BROMOPHENYL)METHYLSULFANYL)6(4METHYLPHENYL)4OXO1HPYRIMIDINE5CARBONITRILE
2((4BROMOPHENYL)METHYLTHIO)6HYDROXY4(4METHYLPHENYL)PYRIMIDINE5CARBONITRILE
CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)Br)C#N
InChI=1SC19H14BrN3OSc1122614(7312)1716(1021)18(24)2319(2217)2511134815(20)9513h29H11H21H3(H222324)
MFCD04173543
ZINC000009846884
ZINC09846884
ZINC9846884
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