Vitas-M small molecule compound
(16E)-17-oxo-16-{[1-(propan-2-yl)-1H-pyrazol-5-yl]methylidene}androst-5-en-3-yl acetate
Catalog ID
STL181713
SMILES CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C\c3ccnn3C(C)C)/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 C28H38N2O3 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O3/c1-17(2)30-21(10-13-29-30)14-19-15-25-23-7-6-20-16-22(33-18(3)31)8-11-27(20,4)24(23)9-12-28(25,5)26(19)32/h6,10,13-14,17,22-25H,7-9,11-12,15-16H2,1-5H3/b19-14+InChIKey
GCNCNCPWKSDMMJ-XMHGGMMESA-NSynonyms
((16E)1013dimethyl17oxo16((2propan2ylpyrazol3yl)methylidene)23478911121415decahydro1Hcyclopenta(a)phenanthren3yl)acetate
(16E)17oxo16((1(propan2yl)1Hpyrazol5yl)methylidene)androst5en3ylacetate
CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3ccnn3C(C)C)C2=O)C)C1)C
CC(C)N1C(=CC=N1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)OC(=O)C
InChI=1SC28H38N2O3c117(2)3021(10132930)141915252376201622(3318(3)31)81127(204)24(23)91228(255)26(19)32h6101314172225H7911121516H215H3b1914+
MFCD20760087
ZINC000071785045
ZINC000253531304
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