Vitas-M small molecule compound
(16E)-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]-17-oxoandrost-5-en-3-yl acetate
Catalog ID
STL181714
SMILES CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C\c3ccnn3C)/C2=O)C)C1)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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-16(29)31-20-7-10-25(2)18(15-20)5-6-21-22(25)8-11-26(3)23(21)14-17(24(26)30)13-19-9-12-27-28(19)4/h5,9,12-13,20-23H,6-8,10-11,14-15H2,1-4H3/b17-13+InChIKey
XKCCGTXQWLOSQQ-GHRIWEEISA-NSynonyms
((16E)1013dimethyl16((2methylpyrazol3yl)methylidene)17oxo23478911121415decahydro1Hcyclopenta(a)phenanthren3yl)acetate
(16E)16((1methyl1Hpyrazol5yl)methylidene)17oxoandrost5en3ylacetate
CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3ccnn3C)C2=O)C)C1)C
CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=NN5C)C4=O)C)C
InChI=1SC26H34N2O3c116(29)312071025(2)18(1520)562122(25)81126(3)23(21)1417(24(26)30)13199122728(19)4h5912132023H6810111415H214H3b1713+
MFCD20760088
ZINC000245253988
ZINC000253531316
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