Vitas-M small molecule compound

(8xi,9xi,14xi,16alpha,17beta)-3-[(4-fluorobenzyl)oxy]estra-1,3,5(10)-triene-16,17-diol

Catalog ID
STL464909
SMILES Fc1ccc(cc1)COc1ccc2c(c1)CCC1C2CC[C@]2(C1C[C@H]([C@@H]2O)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 C25H29FO3 MW 396.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FO3/c1-25-11-10-20-19-9-7-18(29-14-15-2-5-17(26)6-3-15)12-16(19)4-8-21(20)22(25)13-23(27)24(25)28/h2-3,5-7,9,12,20-24,27-28H,4,8,10-11,13-14H2,1H3/t20?,21?,22?,23-,24+,25+/m1/s1
InChIKey
GWXDJKCRYNAAKC-CCWCPDPXSA-N
Synonyms

(13S16R17R)3((4fluorobenzyl)oxy)13methyl78911121314151617decahydro6Hcyclopenta(a)phenanthrene1617diol
(13S16R17R)3((4fluorophenyl)methoxy)13methyl6789111214151617decahydrocyclopenta(a)phenanthrene1617diol
(8xi9xi14xi16alpha17beta)3((4fluorobenzyl)oxy)estra135(10)triene1617diol
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OCC5=CC=C(C=C5)F
Fc1ccc(cc1)COc1ccc2c(c1)CCC1C2CC(C@)2(C1C(C@H)((C@@H)2O)O)C
InChI=1SC25H29FO3c125111020199718(2914152517(26)6315)1216(19)4821(20)22(25)1323(27)24(25)28h235791220242728H4810111314H21H3t20?21?22?2324+25+m1s1
MFCD02057736
ZINC000004027827
ZINC000105365891

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Available files

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