Vitas-M small molecule compound
(8xi,14xi,16alpha)-9-fluoro-16-methyl-3,20-dioxo-17,21-bis(propanoyloxy)pregna-1,4-dien-11-yl hexanoate
Catalog ID
STL525563
SMILES CCCCCC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(OC(=O)CC)C(=O)COC(=O)CC)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 C34H47FO8 MW 602.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47FO8/c1-7-10-11-12-30(40)42-27-19-32(6)25(24-14-13-22-18-23(36)15-16-31(22,5)33(24,27)35)17-21(4)34(32,43-29(39)9-3)26(37)20-41-28(38)8-2/h15-16,18,21,24-25,27H,7-14,17,19-20H2,1-6H3/t21-,24?,25?,27?,31+,32+,33+,34+/m1/s1InChIKey
QSVWZQPYLRJDCO-DTIVASJPSA-NSynonyms
((9~(R)10~(S)13~(S)16~(R)17~(R))9fluoro101316trimethyl3oxo17propanoyloxy17(2propanoyloxyacetyl)6781112141516octahydrocyclopenta(a)phenanthren11yl)hexanoate
(8S9R10S11S13S14S16R17R)9fluoro101316trimethyl3oxo17(propionyloxy)17(2(propionyloxy)acetyl)67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren11ylhexanoate
(8xi14xi16alpha)9fluoro16methyl320dioxo1721bis(propanoyloxy)pregna14dien11ylhexanoate
44662100
CCCCCC(=O)O(C@H)1C(C@@)2(C)(C@H)((C@H)3(C@@)1(F)(C@@)1(C)C=CC(=O)C=C1CC3)C(C@H)((C@)2(OC(=O)CC)C(=O)COC(=O)CC)C
InChI=1SC34H47FO8c1710111230(40)42271932(6)25(241413221823(36)151631(225)33(2427)35)1721(4)34(324329(39)93)26(37)204128(38)82h15161821242527H714171920H216H3t2124?25?27?31+32+33+34+m1s1
MFCD01547424
ZINC000118920944
ZINC000253506187
Check stock
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Check stock on Vitas-MAvailable files
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