Vitas-M small molecule compound
ethyl {[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate
Catalog ID
STL399536
SMILES CCOC(=O)CSC1=N/C(=C/c2cn(nc2C)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 C17H24N4O3S MW 364.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N4O3S/c1-6-24-15(22)10-25-17-18-14(16(23)21(17)8-11(2)3)7-13-9-20(5)19-12(13)4/h7,9,11H,6,8,10H2,1-5H3/b14-7+InChIKey
LPOKCKLVNYAADR-VGOFMYFVSA-NSynonyms
1005671-41-91005671419
CCOC(=O)CSC1=NC(=CC2=CN(N=C2C)C)C(=O)N1CC(C)C
CCOC(=O)CSC1=NC(=Cc2cn(nc2C)C)C(=O)N1CC(C)C
ETHYL(((4E)4((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)1(2METHYLPROPYL)5OXO45DIHYDRO1HIMIDAZOL2YL)SULFANYL)ACETATE
ethyl2((4E)4((13dimethylpyrazol4yl)methylidene)1(2methylpropyl)5oxoimidazol2yl)sulfanylacetate
InChI=1SC17H24N4O3Sc162415(22)1025171814(16(23)21(17)811(2)3)713920(5)1912(13)4h7911H6810H215H3b147+
MFCD04050183
ZINC000002785968
ZINC02785968
ZINC2785968
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