Vitas-M small molecule compound
2-({5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Catalog ID
STK120986
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1[nH]c(=O)c(c(n1)c1ccc(cc1)N(C)C)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 C26H26N6O2S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O2S2/c1-4-20(24(34)30-25-18(13-27)17-7-5-6-8-21(17)35-25)36-26-29-22(19(14-28)23(33)31-26)15-9-11-16(12-10-15)32(2)3/h9-12,20H,4-8H2,1-3H3,(H,30,34)(H,29,31,33)InChIKey
RUVJGVFBIFIXNI-UHFFFAOYSA-NSynonyms
680585-75-52((5cyano4(4(dimethylamino)phenyl)6oxo16dihydropyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
2((5cyano6(4(dimethylamino)phenyl)4oxo1Hpyrimidin2yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)butanamide
680585755
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)N(C)C)C#N
CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1(nH)c(=O)c(c(n1)c1ccc(cc1)N(C)C)C#N
InChI=1SC26H26N6O2S2c1420(24(34)302518(1327)17756821(17)3525)36262922(19(1428)23(33)3126)1591116(121015)32(2)3h91220H48H213H3(H3034)(H293133)
MFCD02042126
ZINC000002757760
ZINC000002757761
Check stock
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Check stock on Vitas-MAvailable files
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