Vitas-M small molecule compound
(16Z)-16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyandrost-5-en-17-one
Catalog ID
STK961575
SMILES CCn1nc(c(c1)/C=C\1/CC2C(C1=O)(C)CCC1C2CC=C2C1(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 C26H36N2O2 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O2/c1-5-28-15-18(16(2)27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h6,12,15,20-23,29H,5,7-11,13-14H2,1-4H3/b17-12-InChIKey
IKSAIBRTZFZGMG-ATVHPVEESA-NSynonyms
1092769-30-6(16Z)16((1ethyl3methyl1Hpyrazol4yl)methylidene)3hydroxyandrost5en17one
(16Z)16((1ethyl3methylpyrazol4yl)methylidene)3hydroxy1013dimethyl23478911121415decahydro1Hcyclopenta(a)phenanthren17one
1092769306
16((1ETHYL3METHYL1HPYRAZOL4YL)METHYLENE)3HYDROXYANDROST5EN17ONE
CCN1C=C(C(=N1)C)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O
CCn1nc(c(c1)C=C1CC2C(C1=O)(C)CCC1C2CC=C2C1(C)CCC(C2)O)C
InChI=1SC26H36N2O2c15281518(16(2)2728)121713232176191420(29)81025(193)22(21)91126(234)24(17)30h61215202329H57111314H214H3b1712
MFCD02609322
ZINC000038306716
ZINC000253503571
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