Vitas-M small molecule compound
(2Z)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-17-hydroxyandrostan-3-one
Catalog ID
STL396813
SMILES O=C1CC2CCC3C(C2(C/C/1=C/c1cnn(c1C)C)C)CCC1(C3CCC1O)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 C25H36N2O2 MW 396.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O2/c1-15-17(14-26-27(15)4)11-16-13-25(3)18(12-22(16)28)5-6-19-20-7-8-23(29)24(20,2)10-9-21(19)25/h11,14,18-21,23,29H,5-10,12-13H2,1-4H3/b16-11-InChIKey
HGOFOKBAWUKDED-WJDWOHSUSA-NSynonyms
(2Z)2((15DIMETHYL1HPYRAZOL4YL)METHYLIDENE)17HYDROXYANDROSTAN3ONE
(2Z)2((15dimethylpyrazol4yl)methylidene)17hydroxy1013dimethyl456789111214151617dodecahydro1Hcyclopenta(a)phenanthren3one
CC1=C(C=NN1C)C=C2CC3(C(CCC4C3CCC5(C4CCC5O)C)CC2=O)C
InChI=1SC25H36N2O2c11517(142627(15)4)11161325(3)18(1222(16)28)5619207823(29)24(202)10921(19)25h111418212329H5101213H214H3b1611
MFCD08557719
O=C1CC2CCC3C(C2(CC1=Cc1cnn(c1C)C)C)CCC1(C3CCC1O)C
ZINC000118916360
ZINC000253505323
ZINC000253505336
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