Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-4-yl)methylidene]androstan-17-ol
Catalog ID
STL401526
SMILES CCn1ncc(c1)/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/c1-4-27-16-17(15-26-27)13-18-14-22-20-9-8-19-7-5-6-11-24(19,2)21(20)10-12-25(22,3)23(18)28/h13,15-16,19-23,28H,4-12,14H2,1-3H3/b18-13+InChIKey
VWKJCCARGYKAHQ-QGOAFFKASA-NSynonyms
(16E)16((1ethyl1Hpyrazol4yl)methylidene)androstan17ol
(16E)16((1ethylpyrazol4yl)methylidene)1013dimethyl1234567891112141517tetradecahydrocyclopenta(a)phenanthren17ol
CCN1C=C(C=N1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2O)C)C
CCn1ncc(c1)C=C1CC2C(C1O)(C)CCC1C2CCC2C1(C)CCCC2
InChI=1SC25H38N2Oc14271617(152627)131814222098197561124(192)21(20)101225(223)23(18)28h131516192328H41214H213H3b1813+
MFCD28952599
ZINC000147165519
ZINC000245240978
ZINC000253534553
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