Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-3-methoxyestra-1,3,5(10)-trien-17-one
Catalog ID
STL401735
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1)CC)/C2=O)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 C25H30N2O2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O2/c1-4-27-15-16(14-26-27)11-18-13-23-22-7-5-17-12-19(29-3)6-8-20(17)21(22)9-10-25(23,2)24(18)28/h6,8,11-12,14-15,21-23H,4-5,7,9-10,13H2,1-3H3/b18-11+InChIKey
XKRIBCLXBKPPCM-WOJGMQOQSA-NSynonyms
(16E)16((1ethyl1Hpyrazol4yl)methylidene)3methoxyestra135(10)trien17one
(16E)16((1ethylpyrazol4yl)methylidene)3methoxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CCN1C=C(C=N1)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)OC
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cnn(c1)CC)C2=O)C
InChI=1SC25H30N2O2c14271516(142627)111813232275171219(293)6820(17)21(22)91025(232)24(18)28h68111214152123H45791013H213H3b1811+
MFCD08555772
ZINC000020607929
ZINC000252430993
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