Vitas-M small molecule compound
(16E)-3-butoxy-16-[(1-methyl-1H-pyrazol-4-yl)methylidene]estra-1(10),2,4-trien-17-one
Catalog ID
STL174651
SMILES CCCCOc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1)C)/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 C27H34N2O2 MW 418.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O2/c1-4-5-12-31-21-7-9-22-19(14-21)6-8-24-23(22)10-11-27(2)25(24)15-20(26(27)30)13-18-16-28-29(3)17-18/h7,9,13-14,16-17,23-25H,4-6,8,10-12,15H2,1-3H3/b20-13+InChIKey
FBMXLHMQUBYVTL-DEDYPNTBSA-NSynonyms
(16E)3butoxy13methyl16((1methylpyrazol4yl)methylidene)678911121415octahydrocyclopenta(a)phenanthren17one
(16E)3butoxy16((1methyl1Hpyrazol4yl)methylidene)estra1(10)24trien17one
CCCCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=CC5=CN(N=C5)C)C4=O)C
CCCCOc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1cnn(c1)C)C2=O)C
InChI=1SC27H34N2O2c145123121792219(1421)682423(22)101127(2)25(24)1520(26(27)30)1318162829(3)1718h79131416172325H468101215H213H3b2013+
MFCD20760017
ZINC000071782832
ZINC000252467346
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