Vitas-M small molecule compound

ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL390877
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(c3C)C)/C(=O)N2CC)sc2c1CCC(C2)C

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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 C25H31N5O4S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O4S2/c1-6-30-23(32)18(11-16-12-26-29(5)15(16)4)27-25(30)35-13-20(31)28-22-21(24(33)34-7-2)17-9-8-14(3)10-19(17)36-22/h11-12,14H,6-10,13H2,1-5H3,(H,28,31)/b18-11+
InChIKey
JPYNNKPFFIZRJU-WOJGMQOQSA-N
Synonyms
1005603-85-9
1005603859
CCN1C(=O)C(=CC2=C(N(N=C2)C)C)N=C1SCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cnn(c3C)C)C(=O)N2CC)sc2c1CCC(C2)C
ethyl2(((((4E)4((15dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((15dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H31N5O4S2c163023(32)18(1116122629(5)15(16)4)2725(30)351320(31)282221(24(33)3472)179814(3)1019(17)3622h111214H61013H215H3(H2831)b1811+
MFCD04049467
ZINC000022861215
ZINC000022861219

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.