Vitas-M small molecule compound
(16E)-3-hydroxy-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1,3,5(10)-trien-17-one
Catalog ID
STL181727
SMILES Oc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccnn1C)/C2=O)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 C23H26N2O2 MW 362.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O2/c1-23-9-7-19-18-6-4-17(26)12-14(18)3-5-20(19)21(23)13-15(22(23)27)11-16-8-10-24-25(16)2/h4,6,8,10-12,19-21,26H,3,5,7,9,13H2,1-2H3/b15-11+InChIKey
ANYSKZGJSBHZPP-RVDMUPIBSA-NSynonyms
(16E)3hydroxy13methyl16((2methylpyrazol3yl)methylidene)678911121415octahydrocyclopenta(a)phenanthren17one
(16E)3hydroxy16((1methyl1Hpyrazol5yl)methylidene)estra135(10)trien17one
CC12CCC3C(C1CC(=CC4=CC=NN4C)C2=O)CCC5=C3C=CC(=C5)O
InChI=1SC23H26N2O2c1239719186417(26)1214(18)3520(19)21(23)1315(22(23)27)11168102425(16)2h4681012192126H357913H212H3b1511+
MFCD20760101
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1ccnn1C)C2=O)C
ZINC000107049487
ZINC000252467294
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