Vitas-M small molecule compound
(16E)-16-[(1-methyl-1H-pyrazol-5-yl)methylidene]estra-1(10),2,4-triene-3,17-diol
Catalog ID
STL181736
SMILES Oc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccnn1C)/C2O)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 C23H28N2O2 MW 364.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O2/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/h4,6,8,10-12,19-22,26-27H,3,5,7,9,13H2,1-2H3/b15-11+InChIKey
IHDFXAYYAHEPNS-RVDMUPIBSA-NSynonyms
(16E)13methyl16((2methylpyrazol3yl)methylidene)7891112141517octahydro6Hcyclopenta(a)phenanthrene317diol
(16E)16((1methyl1Hpyrazol5yl)methylidene)estra1(10)24triene317diol
CC12CCC3C(C1CC(=CC4=CC=NN4C)C2O)CCC5=C3C=CC(=C5)O
InChI=1SC23H28N2O2c1239719186417(26)1214(18)3520(19)21(23)1315(22(23)27)11168102425(16)2h468101219222627H357913H212H3b1511+
MFCD20760110
Oc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1ccnn1C)C2O)C
ZINC000107912868
ZINC000245253578
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