Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-3-hydroxyandrostan-17-one
Catalog ID
STL401570
SMILES CCn1nccc1/C=C/1\CC2C(C1=O)(C)CCC1C2CCC2C1(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 C25H36N2O2 MW 396.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O2/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/h9,12-13,17,19-22,28H,4-8,10-11,14-15H2,1-3H3/b16-13+InChIKey
ZZCLFVCHZVPTRZ-DTQAZKPQSA-NSynonyms
(16E)16((1ethyl1Hpyrazol5yl)methylidene)3hydroxyandrostan17one
(16E)16((2ethylpyrazol3yl)methylidene)3hydroxy1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CCN1C(=CC=N1)C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2=O)C)C)O
CCn1nccc1C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCC(C2)O
InChI=1SC25H36N2O2c142718(9122627)131614222065171519(28)71024(172)21(20)81125(223)23(16)29h9121317192228H4810111415H213H3b1613+
MFCD28033963
ZINC000118934157
ZINC000245241306
ZINC000253534564
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