Vitas-M small molecule compound
ethyl 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}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL394009
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cn(nc3C)C)/C(=O)N2CC)sc2c1CCCCC2
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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/c1-5-30-23(32)18(12-16-13-29(4)28-15(16)3)26-25(30)35-14-20(31)27-22-21(24(33)34-6-2)17-10-8-7-9-11-19(17)36-22/h12-13H,5-11,14H2,1-4H3,(H,27,31)/b18-12+InChIKey
NAXDJSLDXDEZPO-LDADJPATSA-NSynonyms
1005622-69-41005622694
CCN1C(=O)C(=CC2=CN(N=C2C)C)N=C1SCC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cn(nc3C)C)C(=O)N2CC)sc2c1CCCCC2
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1ethyl5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1ethyl5oxoimidazol2yl)sulfanylacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC25H31N5O4S2c153023(32)18(12161329(4)2815(16)3)2625(30)351420(31)272221(24(33)3462)17108791119(17)3622h1213H51114H214H3(H2731)b1812+
MFCD04050452
ZINC000020602392
ZINC20602392
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