Vitas-M small molecule compound
(16E)-16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-3-methoxyestra-1,3,5(10)-trien-17-one
Catalog ID
STL396384
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cn(nc1C)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 C26H32N2O2 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O2/c1-5-28-15-19(16(2)27-28)12-18-14-24-23-8-6-17-13-20(30-4)7-9-21(17)22(23)10-11-26(24,3)25(18)29/h7,9,12-13,15,22-24H,5-6,8,10-11,14H2,1-4H3/b18-12+InChIKey
IATLNWYXDOFXTO-LDADJPATSA-NSynonyms
(16E)16((1ETHYL3METHYL1HPYRAZOL4YL)METHYLIDENE)3METHOXYESTRA135(10)TRIEN17ONE
(16E)16((1ethyl3methylpyrazol4yl)methylidene)3methoxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CCN1C=C(C(=N1)C)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)OC
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cn(nc1C)CC)C2=O)C
InChI=1SC26H32N2O2c15281519(16(2)2728)121814242386171320(304)7921(17)22(23)101126(243)25(18)29h791213152224H568101114H214H3b1812+
MFCD08555855
ZINC000020607922
ZINC000252430751
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