Vitas-M small molecule compound
propan-2-yl 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
STK305302
SMILES CCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)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 C25H31N5O4S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O4S2/c1-6-30-23(32)18(11-16-12-29(5)28-15(16)4)26-25(30)35-13-20(31)27-22-21(24(33)34-14(2)3)17-9-7-8-10-19(17)36-22/h11-12,14H,6-10,13H2,1-5H3,(H,27,31)/b18-11+InChIKey
DDCWLQMZSJPYAK-WOJGMQOQSA-NSynonyms
1005555-20-31005555203
CCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
CCN1C(=O)C(=CC2=CN(N=C2C)C)N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C
InChI=1SC25H31N5O4S2c163023(32)18(11161229(5)2815(16)4)2625(30)351320(31)272221(24(33)3414(2)3)179781019(17)3622h111214H61013H215H3(H2731)b1811+
MFCD04050305
propan2yl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000013959561
ZINC13959561
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