Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-4-yl)methylidene]androstan-17-one
Catalog ID
STL393036
SMILES CCn1ncc(c1)/C=C/1\CC2C(C1=O)(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 C25H36N2O MW 380.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O/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/h13,15-16,19-22H,4-12,14H2,1-3H3/b18-13+InChIKey
BLUXDDQLXIXNPG-QGOAFFKASA-NSynonyms
(16E)16((1ETHYL1HPYRAZOL4YL)METHYLIDENE)ANDROSTAN17ONE
(16E)16((1ethylpyrazol4yl)methylidene)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CCN1C=C(C=N1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2=O)C)C
CCn1ncc(c1)C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2
InChI=1SC25H36N2Oc14271617(152627)131814222098197561124(192)21(20)101225(223)23(18)28h1315161922H41214H213H3b1813+
MFCD28952529
ZINC000006490281
ZINC000118928059
ZINC000253534494
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