Vitas-M small molecule compound
4-{[(8xi,9xi,14xi)-3-hydroxyestra-1(10),2,4-trien-17-yl]oxy}-4-oxobutanoic acid
Catalog ID
STL564726
SMILES OC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCc2c1ccc(c2)O
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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 C22H28O5 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16?,17?,18?,19?,22-/m0/s1InChIKey
YJPIDPAGJSWWBE-RTRRFCSQSA-NSynonyms
16396201
4(((13S)3hydroxy13methyl6789111214151617decahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4(((13S)3hydroxy13methyl78911121314151617decahydro6Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4(((8xi9xi14xi)3hydroxyestra1(10)24trien17yl)oxy)4oxobutanoicacid
InChI=1SC22H28O5c122111016155314(23)1213(15)2417(16)18(22)6719(22)2721(26)9820(24)25h3512161923H24611H21H3(H2425)t16?17?18?19?22m0s1
OC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCc2c1ccc(c2)O
ZINC000004026836
ZINC000252695335
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