Vitas-M small molecule compound
(8xi,14xi)-9-fluoro-21-hydroxy-3,20-dioxopregna-1,4,16-trien-11-yl acetate
Catalog ID
STL525313
SMILES OCC(=O)C1=CCC2[C@]1(C)CC(OC(=O)C)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)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 C23H27FO5 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27FO5/c1-13(26)29-20-11-21(2)16(6-7-18(21)19(28)12-25)17-5-4-14-10-15(27)8-9-22(14,3)23(17,20)24/h7-10,16-17,20,25H,4-6,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1InChIKey
RCSVCMFFZQVIMI-XLSOAHDVSA-NSynonyms
((9~(R)10~(S)13~(S))9fluoro17(2hydroxyacetyl)1013dimethyl3oxo7811121415hexahydro6~(H)cyclopenta(a)phenanthren11yl)acetate
(8S9R10S11R13S14S)9fluoro17(2hydroxyacetyl)1013dimethyl3oxo6789101112131415decahydro3Hcyclopenta(a)phenanthren11ylacetate
(8xi14xi)9fluoro21hydroxy320dioxopregna1416trien11ylacetate
135639045
InChI=1SC23H27FO5c113(26)29201121(2)16(6718(21)19(28)1225)1754141015(27)8922(143)23(1720)24h71016172025H461112H213H3t16?17?20?212223m0s1
MFCD01544533
OCC(=O)C1=CC(C@@H)2(C@)1(C)C(C@@H)(OC(=O)C)(C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F
ZINC000070672490
ZINC001772491659
Check stock
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