Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-3-hydroxyandrost-5-en-17-one
Catalog ID
STL396139
SMILES CCn1nccc1/C=C/1\CC2C(C1=O)(C)CCC1C2CC=C2C1(C)CCC(C2)O
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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 C25H34N2O2 MW 394.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O2/c1-4-27-18(9-12-26-27)13-16-14-22-20-6-5-17-15-19(28)7-10-24(17,2)21(20)8-11-25(22,3)23(16)29/h5,9,12-13,19-22,28H,4,6-8,10-11,14-15H2,1-3H3/b16-13+InChIKey
FCJZEZIAZQLHTC-DTQAZKPQSA-NSynonyms
(16E)16((1ETHYL1HPYRAZOL5YL)METHYLIDENE)3HYDROXYANDROST5EN17ONE
(16E)16((2ethylpyrazol3yl)methylidene)3hydroxy1013dimethyl23478911121415decahydro1Hcyclopenta(a)phenanthren17one
CCN1C(=CC=N1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O
CCn1nccc1C=C1CC2C(C1=O)(C)CCC1C2CC=C2C1(C)CCC(C2)O
InChI=1SC25H34N2O2c142718(9122627)131614222065171519(28)71024(172)21(20)81125(223)23(16)29h591213192228H46810111415H213H3b1613+
MFCD28952557
ZINC000006490097
ZINC000118921961
ZINC000253534504
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