Vitas-M small molecule compound
(16E)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-methoxyestra-1(10),2,4-trien-17-ol
Catalog ID
STL397805
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cn(nc1C)C)/C2O)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 C25H32N2O2 MW 392.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O2/c1-15-18(14-27(3)26-15)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/h6,8,11-12,14,21-24,28H,5,7,9-10,13H2,1-4H3/b17-11+InChIKey
MEPYNTVXLJQGPP-GZTJUZNOSA-NSynonyms
(16E)16((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)3METHOXYESTRA1(10)24TRIEN17OL
(16E)16((13dimethylpyrazol4yl)methylidene)3methoxy13methyl7891112141517octahydro6Hcyclopenta(a)phenanthren17ol
CC1=NN(C=C1C=C2CC3C4CCC5=C(C4CCC3(C2O)C)C=CC(=C5)OC)C
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cn(nc1C)C)C2O)C
InChI=1SC25H32N2O2c11518(1427(3)2615)111713232275161219(294)6820(16)21(22)91025(232)24(17)28h68111214212428H5791013H214H3b1711+
MFCD06197010
ZINC000017080246
ZINC000245239776
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