Vitas-M small molecule compound
(16E)-3-ethoxy-16-[(1-methyl-1H-pyrazol-4-yl)methylidene]estra-1(10),2,4-trien-17-ol
Catalog ID
STL174602
SMILES CCOc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1)C)/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 C25H32N2O2 MW 392.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O2/c1-4-29-19-6-8-20-17(12-19)5-7-22-21(20)9-10-25(2)23(22)13-18(24(25)28)11-16-14-26-27(3)15-16/h6,8,11-12,14-15,21-24,28H,4-5,7,9-10,13H2,1-3H3/b18-11+InChIKey
BXJRUGUVBIWBJI-WOJGMQOQSA-NSynonyms
(16E)3ethoxy13methyl16((1methylpyrazol4yl)methylidene)7891112141517octahydro6Hcyclopenta(a)phenanthren17ol
(16E)3ethoxy16((1methyl1Hpyrazol4yl)methylidene)estra1(10)24trien17ol
CCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=CC5=CN(N=C5)C)C4O)C
CCOc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cnn(c1)C)C2O)C
InChI=1SC25H32N2O2c142919682017(1219)572221(20)91025(2)23(22)1318(24(25)28)1116142627(3)1516h6811121415212428H45791013H213H3b1811+
MFCD20760015
ZINC000230137780
ZINC000248376071
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