Vitas-M small molecule compound
(16E)-16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyandrostan-17-one
Catalog ID
STL401666
SMILES CCn1nc(c(c1)/C=C/1\CC2C(C1=O)(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 C26H38N2O2 MW 410.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N2O2/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/h12,15,19-23,29H,5-11,13-14H2,1-4H3/b17-12+InChIKey
ZXGJYVCSCCHJLY-SFQUDFHCSA-NSynonyms
(16E)16((1ethyl3methyl1Hpyrazol4yl)methylidene)3hydroxyandrostan17one
(16E)16((1ethyl3methylpyrazol4yl)methylidene)3hydroxy1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CCN1C=C(C(=N1)C)C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2=O)C)C)O
CCn1nc(c(c1)C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCC(C2)O)C
InChI=1SC26H38N2O2c15281518(16(2)2728)121713232176191420(29)81025(193)22(21)91126(234)24(17)30h1215192329H5111314H214H3b1712+
MFCD28952603
ZINC000147166448
ZINC000245241294
ZINC000253534562
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