Vitas-M small molecule compound
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Catalog ID
STK036259
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1[nH]c(=O)c(c(n1)c1ccccc1)C#N
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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 C24H21N5O2S2 MW 475.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O2S2/c1-2-18(22(31)28-23-16(12-25)15-10-6-7-11-19(15)32-23)33-24-27-20(14-8-4-3-5-9-14)17(13-26)21(30)29-24/h3-5,8-9,18H,2,6-7,10-11H2,1H3,(H,28,31)(H,27,29,30)InChIKey
NOXJMIQKUSAXQF-UHFFFAOYSA-NSynonyms
462605-28-32((5cyano4oxo6phenyl1Hpyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((5cyano6oxo4phenyl16dihydropyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
462605283
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N
CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1(nH)c(=O)c(c(n1)c1ccccc1)C#N
InChI=1SC24H21N5O2S2c1218(22(31)282316(1225)1510671119(15)3223)33242720(148435914)17(1326)21(30)2924h358918H2671011H21H3(H2831)(H272930)
MFCD02056336
STK036259
ZINC000002757489
ZINC000002757490
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