Vitas-M small molecule compound
methyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL401374
SMILES CCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C23H27N5O4S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O4S2/c1-5-28-21(30)16(10-14-11-27(3)26-13(14)2)24-23(28)33-12-18(29)25-20-19(22(31)32-4)15-8-6-7-9-17(15)34-20/h10-11H,5-9,12H2,1-4H3,(H,25,29)/b16-10+InChIKey
WRGVCPXSRIHQBW-MHWRWJLKSA-NSynonyms
1005555-31-61005555316
CCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
CCN1C(=O)C(=CC2=CN(N=C2C)C)N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC23H27N5O4S2c152821(30)16(10141127(3)2613(14)2)2423(28)331218(29)252019(22(31)324)15867917(15)3420h1011H5912H214H3(H2529)b1610+
methyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04050304
ZINC000020602379
ZINC20602379
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