Vitas-M small molecule compound
(16E)-16-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]androstane-3,17-diol
Catalog ID
STL402734
SMILES CCn1nc(c(c1C)/C=C/1\CC2C(C1O)(C)CCC1C2CCC2C1(C)CCC(C2)O)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 C27H42N2O2 MW 426.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O2/c1-6-29-17(3)22(16(2)28-29)13-18-14-24-21-8-7-19-15-20(30)9-11-26(19,4)23(21)10-12-27(24,5)25(18)31/h13,19-21,23-25,30-31H,6-12,14-15H2,1-5H3/b18-13+InChIKey
DGHNSOORNPGMCA-QGOAFFKASA-NSynonyms
(16E)16((1ethyl35dimethyl1Hpyrazol4yl)methylidene)androstane317diol
(16E)16((1ethyl35dimethylpyrazol4yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthrene317diol
CCN1C(=C(C(=N1)C)C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2O)C)C)O)C
CCn1nc(c(c1C)C=C1CC2C(C1O)(C)CCC1C2CCC2C1(C)CCC(C2)O)C
InChI=1SC27H42N2O2c162917(3)22(16(2)2829)131814242187191520(30)91126(194)23(21)101227(245)25(18)31h13192123253031H6121415H215H3b1813+
MFCD28952625
ZINC000147169592
ZINC000253534499
ZINC000253534502
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