Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
Catalog ID
STL524484
SMILES CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CC(O)[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 C24H31FO6 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17?,18?,19?,21+,22+,23+,24+/m1/s1InChIKey
AKUJBENLRBOFTD-OCNKQZOYSA-NSynonyms
(2((9~(R)10~(S)13~(S)16~(R)17~(R))9fluoro1117dihydroxy101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8xi14xi16alpha)9fluoro1117dihydroxy16methyl320dioxopregna14dien21ylacetate
2((8S9R10S11S13S14S16R17R)9fluoro1117dihydroxy101316trimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
45357558
CC(=O)OCC(=O)(C@@)1(O)(C@H)(C)C(C@@H)2(C@)1(C)C(C@H)(O)(C@)1((C@H)2CCC2=CC(=O)C=C(C@)12C)F
InChI=1SC24H31FO6c1139181765151016(27)7821(153)23(1725)19(28)1122(184)24(1330)20(29)123114(2)26h78101317192830H5691112H214H3t1317?18?19?21+22+23+24+m1s1
MFCD01544420
ZINC000003882065
ZINC000009040986
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