Vitas-M small molecule compound
(16E)-16-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxyestra-1(10),2,4-trien-17-one
Catalog ID
STL397902
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1C)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 C25H30N2O2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O2/c1-15-18(14-26-27(15)3)11-17-13-23-22-7-5-16-12-19(29-4)6-8-20(16)21(22)9-10-25(23,2)24(17)28/h6,8,11-12,14,21-23H,5,7,9-10,13H2,1-4H3/b17-11+InChIKey
FNMQPGMXOHYDGL-GZTJUZNOSA-NSynonyms
(16E)16((15DIMETHYL1HPYRAZOL4YL)METHYLIDENE)3METHOXYESTRA1(10)24TRIEN17ONE
(16E)16((15dimethylpyrazol4yl)methylidene)3methoxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CC1=C(C=NN1C)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)OC
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cnn(c1C)C)C2=O)C
InChI=1SC25H30N2O2c11518(142627(15)3)111713232275161219(294)6820(16)21(22)91025(232)24(17)28h681112142123H5791013H214H3b1711+
MFCD06197170
ZINC000017079761
ZINC000245239122
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