Vitas-M small molecule compound
(8xi,9xi,14xi)-3-[(2-fluorobenzyl)oxy]estra-1(10),2,4-trien-17-one
Catalog ID
STL464907
SMILES Fc1ccccc1COc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=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 C25H27FO2 MW 378.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FO2/c1-25-13-12-20-19-9-7-18(28-15-17-4-2-3-5-23(17)26)14-16(19)6-8-21(20)22(25)10-11-24(25)27/h2-5,7,9,14,20-22H,6,8,10-13,15H2,1H3/t20?,21?,22?,25-/m0/s1InChIKey
PMPCWMKSIYMXOF-DJYNTIJESA-NSynonyms
(13S)3((2fluorobenzyl)oxy)13methyl7891112131516octahydro6Hcyclopenta(a)phenanthren17(14H)one
(13S)3((2fluorophenyl)methoxy)13methyl7891112141516octahydro6Hcyclopenta(a)phenanthren17one
(8xi9xi14xi)3((2fluorobenzyl)oxy)estra1(10)24trien17one
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5F
Fc1ccccc1COc1ccc2c(c1)CCC1C2CC(C@)2(C1CCC2=O)C
InChI=1SC25H27FO2c125131220199718(281517423523(17)26)1416(19)6821(20)22(25)101124(25)27h2579142022H68101315H21H3t20?21?22?25m0s1
MFCD02059417
ZINC000004028160
ZINC000105366142
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