Vitas-M small molecule compound
(16E)-16-[(1-ethyl-1H-pyrazol-5-yl)methylidene]androstan-17-one
Catalog ID
STL401963
SMILES CCn1nccc1/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/c1-4-27-19(11-14-26-27)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/h11,14-15,18,20-22H,4-10,12-13,16H2,1-3H3/b17-15+InChIKey
LWLNXMRZXSNPHH-BMRADRMJSA-NSynonyms
(16E)16((1ethyl1Hpyrazol5yl)methylidene)androstan17one
(16E)16((2ethylpyrazol3yl)methylidene)1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17one
CCN1C(=CC=N1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2=O)C)C
CCn1nccc1C=C1CC2C(C1=O)(C)CCC1C2CCC2C1(C)CCCC2
InChI=1SC25H36N2Oc142719(11142627)151716222098187561224(182)21(20)101325(223)23(17)28h111415182022H410121316H213H3b1715+
MFCD28952609
ZINC000036002181
ZINC000118928029
ZINC000253534531
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