Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyandrostan-17-one
Catalog ID
STL401975
SMILES CCn1ncc(c1)/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/c1-4-27-15-16(14-26-27)11-17-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(17)29/h11,14-15,18-22,28H,4-10,12-13H2,1-3H3/b17-11+InChIKey
LNURYWGKYJSNOL-GZTJUZNOSA-NSynonyms
(16E)16((1ethyl1Hpyrazol4yl)methylidene)3hydroxyandrostan17one
(16E)16((1ethylpyrazol4yl)methylidene)3hydroxy1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CCN1C=C(C=N1)C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2=O)C)C)O
CCn1ncc(c1)C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCC(C2)O
InChI=1SC25H36N2O2c14271516(142627)111712222065181319(28)7924(182)21(20)81025(223)23(17)29h111415182228H4101213H213H3b1711+
MFCD28952612
ZINC000147168240
ZINC000245239677
ZINC000253534529
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