Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
Catalog ID
STL181723
SMILES CCn1nccc1/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/c1-3-26-17(9-11-25-26)12-16-14-22-21-6-4-15-13-18(27)5-7-19(15)20(21)8-10-24(22,2)23(16)28/h5,7,9,11-13,20-22,27H,3-4,6,8,10,14H2,1-2H3/b16-12+InChIKey
PROOCHLOKDKNMI-FOWTUZBSSA-NSynonyms
(16E)16((1ethyl1Hpyrazol5yl)methylidene)3hydroxyestra1(10)24trien17one
(16E)16((2ethylpyrazol3yl)methylidene)3hydroxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CCN1C(=CC=N1)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)O
CCn1nccc1C=C1CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)O
InChI=1SC24H28N2O2c132617(9112526)121614222164151318(27)5719(15)20(21)81024(222)23(16)28h5791113202227H34681014H212H3b1612+
MFCD20760097
ZINC000071785071
ZINC000252467524
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