Vitas-M small molecule compound
(16E)-16-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]androstane-3,17-diol
Catalog ID
STL395561
SMILES OC1CCC2(C(C1)CCC1C2CCC2(C1C/C(=C\c1cn(nc1C)C)/C2O)C)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 C25H38N2O2 MW 398.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O2/c1-15-17(14-27(4)26-15)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h11,14,18-23,28-29H,5-10,12-13H2,1-4H3/b16-11+InChIKey
AWVQXSVXAYIKEY-LFIBNONCSA-NSynonyms
(16E)16((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)ANDROSTANE317DIOL
(16E)16((13dimethylpyrazol4yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthrene317diol
CC1=NN(C=C1C=C2CC3C4CCC5CC(CCC5(C4CCC3(C2O)C)C)O)C
InChI=1SC25H38N2O2c11517(1427(4)2615)111612222065181319(28)7924(182)21(20)81025(223)23(16)29h111418232829H5101213H214H3b1611+
MFCD28952548
OC1CCC2(C(C1)CCC1C2CCC2(C1CC(=Cc1cn(nc1C)C)C2O)C)C
ZINC000147162477
ZINC000253534487
ZINC000253534490
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