Vitas-M small molecule compound
(16E)-16-(4-chlorobenzylidene)-3-methoxyestra-1,3,5(10)-trien-17-ol
Catalog ID
STL175475
SMILES COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccc(cc1)Cl)/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 C26H29ClO2 MW 408.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClO2/c1-26-12-11-22-21-10-8-20(29-2)14-17(21)5-9-23(22)24(26)15-18(25(26)28)13-16-3-6-19(27)7-4-16/h3-4,6-8,10,13-14,22-25,28H,5,9,11-12,15H2,1-2H3/b18-13+InChIKey
OOABHJLKLZEWKP-QGOAFFKASA-NSynonyms
(16E)16((4chlorophenyl)methylidene)3methoxy13methyl7891112141517octahydro6Hcyclopenta(a)phenanthren17ol
(16E)16(4chlorobenzylidene)3methoxyestra135(10)trien17ol
CC12CCC3C(C1CC(=CC4=CC=C(C=C4)Cl)C2O)CCC5=C3C=CC(=C5)OC
COc1ccc2c(c1)CCC1C2CCC2(C1CC(=Cc1ccc(cc1)Cl)C2O)C
InChI=1SC26H29ClO2c1261211222110820(292)1417(21)5923(22)24(26)1518(25(26)28)13163619(27)7416h3468101314222528H59111215H212H3b1813+
MFCD08555864
ZINC000020607830
ZINC000245253769
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