Vitas-M small molecule compound
ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK305292
SMILES CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cn(nc3C)C)/C(=O)N2c2ccccc2)sc2c1CCCC2
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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 C28H29N5O4S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4S2/c1-4-37-27(36)24-20-12-8-9-13-22(20)39-25(24)30-23(34)16-38-28-29-21(14-18-15-32(3)31-17(18)2)26(35)33(28)19-10-6-5-7-11-19/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3,(H,30,34)/b21-14+InChIKey
AXGWFIUUASJMRV-KGENOOAVSA-NSynonyms
1005660-34-31005660343
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC4=CN(N=C4C)C)C(=O)N3C5=CC=CC=C5
CCOC(=O)c1c(NC(=O)CSC2=NC(=Cc3cn(nc3C)C)C(=O)N2c2ccccc2)sc2c1CCCC2
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)5oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)5oxo1phenylimidazol2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H29N5O4S2c143727(36)242012891322(20)3925(24)3023(34)1638282921(14181532(3)3117(18)2)26(35)33(28)19106571119h5710111415H489121316H213H3(H3034)b2114+
MFCD04050469
ZINC000002785765
ZINC2785765
Check stock
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