Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
Catalog ID
STL181722
SMILES CCn1ncc(c1)/C=C/1\CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)O
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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 C24H28N2O2 MW 376.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O2/c1-3-26-14-15(13-25-26)10-17-12-22-21-6-4-16-11-18(27)5-7-19(16)20(21)8-9-24(22,2)23(17)28/h5,7,10-11,13-14,20-22,27H,3-4,6,8-9,12H2,1-2H3/b17-10+InChIKey
OXIQPAHQNCLVTM-LICLKQGHSA-NSynonyms
(16E)16((1ethyl1Hpyrazol4yl)methylidene)3hydroxyestra1(10)24trien17one
(16E)16((1ethylpyrazol4yl)methylidene)3hydroxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CCN1C=C(C=N1)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)O
CCn1ncc(c1)C=C1CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)O
InChI=1SC24H28N2O2c13261415(132526)101712222164161118(27)5719(16)20(21)8924(222)23(17)28h5710111314202227H3468912H212H3b1710+
MFCD20760096
ZINC000071785067
ZINC000245253771
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