Vitas-M small molecule compound
(16E)-16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]androstane-3,17-diol
Catalog ID
STL395852
SMILES CCn1nc(c(c1)/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 C26H40N2O2 MW 412.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O2/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/h12,15,19-24,29-30H,5-11,13-14H2,1-4H3/b17-12+InChIKey
KQSUPNWTORYXDA-SFQUDFHCSA-NSynonyms
(16E)16((1ETHYL3METHYL1HPYRAZOL4YL)METHYLIDENE)ANDROSTANE317DIOL
(16E)16((1ethyl3methylpyrazol4yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthrene317diol
CCN1C=C(C(=N1)C)C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2O)C)C)O
CCn1nc(c(c1)C=C1CC2C(C1O)(C)CCC1C2CCC2C1(C)CCC(C2)O)C
InChI=1SC26H40N2O2c15281518(16(2)2728)121713232176191420(29)81025(193)22(21)91126(234)24(17)30h121519242930H5111314H214H3b1712+
MFCD28952555
ZINC000147164195
ZINC000253534522
ZINC000253534525
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