Vitas-M small molecule compound
ethyl ({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Catalog ID
STK964494
SMILES CCOC(=O)CSC1=N/C(=C/c2cnn(c2)C)/C(=O)N1CC(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 C16H22N4O3S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N4O3S/c1-5-23-14(21)10-24-16-18-13(6-12-7-17-19(4)9-12)15(22)20(16)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3/b13-6+InChIKey
IBBQWWUJWBMJCT-AWNIVKPZSA-NSynonyms
1005659-90-41005659904
CCOC(=O)CSC1=NC(=CC2=CN(N=C2)C)C(=O)N1CC(C)C
CCOC(=O)CSC1=NC(=Cc2cnn(c2)C)C(=O)N1CC(C)C
ethyl(((4E)1(2methylpropyl)4((1methyl1Hpyrazol4yl)methylidene)5oxo45dihydro1Himidazol2yl)sulfanyl)acetate
ethyl2((4E)1(2methylpropyl)4((1methylpyrazol4yl)methylidene)5oxoimidazol2yl)sulfanylacetate
InChI=1SC16H22N4O3Sc152314(21)1024161813(61271719(4)912)15(22)20(16)811(2)3h67911H5810H214H3b136+
MFCD04050281
ZINC000002785691
ZINC02785691
ZINC2785691
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