Vitas-M small molecule compound
(16E)-3-(hexyloxy)-16-[(1-methyl-1H-pyrazol-4-yl)methylidene]estra-1(10),2,4-trien-17-one
Catalog ID
STL175756
SMILES CCCCCCOc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1)C)/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 C29H38N2O2 MW 446.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O2/c1-4-5-6-7-14-33-23-9-11-24-21(16-23)8-10-26-25(24)12-13-29(2)27(26)17-22(28(29)32)15-20-18-30-31(3)19-20/h9,11,15-16,18-19,25-27H,4-8,10,12-14,17H2,1-3H3/b22-15+InChIKey
WVXXEBLHRGPWQV-PXLXIMEGSA-NSynonyms
(16E)3(hexyloxy)16((1methyl1Hpyrazol4yl)methylidene)estra1(10)24trien17one
(16E)3hexoxy13methyl16((1methylpyrazol4yl)methylidene)678911121415octahydrocyclopenta(a)phenanthren17one
CCCCCCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=CC5=CN(N=C5)C)C4=O)C
CCCCCCOc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cnn(c1)C)C2=O)C
InChI=1SC29H38N2O2c145671433239112421(1623)8102625(24)121329(2)27(26)1722(28(29)32)1520183031(3)1920h911151618192527H4810121417H213H3b2215+
MFCD20760020
ZINC000071784702
ZINC000245253981
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