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]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL400491
SMILES COCCCN1C(=N/C(=C/c2cn(nc2C)C)/C1=O)SCC(=O)Nc1sc(c(c1C(=O)OCC)C)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 C24H31N5O5S2 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O5S2/c1-7-34-23(32)20-14(2)16(4)36-21(20)26-19(30)13-35-24-25-18(11-17-12-28(5)27-15(17)3)22(31)29(24)9-8-10-33-6/h11-12H,7-10,13H2,1-6H3,(H,26,30)/b18-11+InChIKey
DIMLZLPKSCJCKT-WOJGMQOQSA-NSynonyms
1005608-00-31005608003
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=CC3=CN(N=C3C)C)C(=O)N2CCCOC
COCCCN1C(=NC(=Cc2cn(nc2C)C)C1=O)SCC(=O)Nc1sc(c(c1C(=O)OCC)C)C
ethyl2(((((4E)4((13dimethyl1Hpyrazol4yl)methylidene)1(3methoxypropyl)5oxo45dihydro1Himidazol2yl)sulfanyl)acetyl)amino)45dimethylthiophene3carboxylate
ethyl2((2((4E)4((13dimethylpyrazol4yl)methylidene)1(3methoxypropyl)5oxoimidazol2yl)sulfanylacetyl)amino)45dimethylthiophene3carboxylate
InChI=1SC24H31N5O5S2c173423(32)2014(2)16(4)3621(20)2619(30)1335242518(11171228(5)2715(17)3)22(31)29(24)9810336h1112H71013H216H3(H2630)b1811+
MFCD04050460
ZINC000101610903
ZINC101610903
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