Vitas-M small molecule compound
ethyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4-phenylthiophene-3-carboxylate
Catalog ID
STK305365
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1scc(c1C(=O)OCC)c1ccccc1
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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 C28H31N5O5S2 MW 581.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O5S2/c1-5-38-27(36)24-21(19-10-7-6-8-11-19)16-39-25(24)30-23(34)17-40-28-29-22(14-20-15-32(3)31-18(20)2)26(35)33(28)12-9-13-37-4/h6-8,10-11,14-16H,5,9,12-13,17H2,1-4H3,(H,30,34)/b22-14+InChIKey
ULXVLAPZIDYJCX-HYARGMPZSA-NSynonyms
1005555-71-41005555714
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC4=CN(N=C4C)C)C(=O)N3CCCOC
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1scc(c1C(=O)OCC)c1ccccc1
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)4phenylthiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetyl)amino)4phenylthiophene3carboxylate
InChI=1SC28H31N5O5S2c153827(36)2421(19107681119)163925(24)3023(34)1740282922(14201532(3)3118(20)2)26(35)33(28)12913374h6810111416H59121317H214H3(H3034)b2214+
MFCD04050462
ZINC000102000930
ZINC102000930
Check stock
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