Vitas-M small molecule compound

(8xi,9xi,14xi)-3-[(pentafluorobenzyl)oxy]estra-1(10),2,4-trien-17-one

Catalog ID
STL464908
SMILES O=C1CCC2[C@]1(C)CCC1C2CCc2c1ccc(c2)OCc1c(F)c(F)c(c(c1F)F)F

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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 C25H23F5O2 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F5O2/c1-25-9-8-15-14-5-3-13(10-12(14)2-4-16(15)18(25)6-7-19(25)31)32-11-17-20(26)22(28)24(30)23(29)21(17)27/h3,5,10,15-16,18H,2,4,6-9,11H2,1H3/t15?,16?,18?,25-/m0/s1
InChIKey
YICMAVKYWQMGFT-YMSAOOGBSA-N
Synonyms

(13S)13methyl3((23456pentafluorophenyl)methoxy)7891112141516octahydro6Hcyclopenta(a)phenanthren17one
(13S)13methyl3((perfluorophenyl)methoxy)7891112131516octahydro6Hcyclopenta(a)phenanthren17(14H)one
(8xi9xi14xi)3((pentafluorobenzyl)oxy)estra1(10)24trien17one
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC5=C(C(=C(C(=C5F)F)F)F)F
InChI=1SC25H23F5O2c1259815145313(1012(14)2416(15)18(25)6719(25)31)32111720(26)22(28)24(30)23(29)21(17)27h3510151618H246911H21H3t15?16?18?25m0s1
MFCD02115524
O=C1CCC2(C@)1(C)CCC1C2CCc2c1ccc(c2)OCc1c(F)c(F)c(c(c1F)F)F
ZINC000008762795
ZINC000238950476

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Available files

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