Vitas-M small molecule compound
(8xi,9xi,14xi)-3-methoxyestra-1,3,5(10)-trien-17-yl acetate
Catalog ID
STL524435
SMILES COc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2OC(=O)C)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 C21H28O3 MW 328.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17?,18?,19?,20?,21-/m0/s1InChIKey
FMNPCVNWRFPDCA-ALAWOQLPSA-NSynonyms
((13~(S))3methoxy13methyl6789111214151617decahydrocyclopenta(a)phenanthren17yl)acetate
(13S)3methoxy13methyl78911121314151617decahydro6Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi)3methoxyestra135(10)trien17ylacetate
16396556
COc1ccc2c(c1)CCC1C2CC(C@)2(C1CCC2OC(=O)C)C
InChI=1SC21H28O3c113(22)242098191864141215(233)5716(14)17(18)101121(1920)2h57121720H46811H213H3t17?18?19?20?21m0s1
MFCD01881658
ZINC000002507976
ZINC000096330688
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