Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-3-yl)methylidene]androstan-17-ol
Catalog ID
STL402135
SMILES CCn1ccc(n1)/C=C/1\CC2C(C1O)(C)CCC1C2CCC2C1(C)CCCC2
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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 C25H38N2O MW 382.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O/c1-4-27-14-11-19(26-27)15-17-16-22-20-9-8-18-7-5-6-12-24(18,2)21(20)10-13-25(22,3)23(17)28/h11,14-15,18,20-23,28H,4-10,12-13,16H2,1-3H3/b17-15+InChIKey
PMKCDJNYYDXMLP-BMRADRMJSA-NSynonyms
(16E)16((1ethyl1Hpyrazol3yl)methylidene)androstan17ol
(16E)16((1ethylpyrazol3yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthren17ol
CCN1C=CC(=N1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2O)C)C
CCn1ccc(n1)C=C1CC2C(C1O)(C)CCC1C2CCC2C1(C)CCCC2
InChI=1SC25H38N2Oc1427141119(2627)151716222098187561224(182)21(20)101325(223)23(17)28h11141518202328H410121316H213H3b1715+
MFCD28952615
ZINC000147168947
ZINC000245240367
ZINC000253534537
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