Vitas-M small molecule compound
4-{[(8xi,9xi,10xi,13xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoic acid
Catalog ID
STK378262
SMILES OC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C
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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 C25H32O8 MW 460.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)/t16?,17?,18?,22?,23?,24?,25-/m0/s1InChIKey
APGDTXUMTIZLCJ-NRJSAHGUSA-NSynonyms
4(((8xi9xi10xi13xi14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoicacid
4(2((17R)1117dihydroxy1013dimethyl3oxo7891112141516octahydro6Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoicacid
CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O
InChI=1SC25H32O8c1239715(26)1114(23)34161781025(3224(172)1218(27)22(16)23)19(28)133321(31)6520(29)30h79111618222732H368101213H212H3(H2930)t16?17?18?22?23?24?25m0s1
OC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C
ZINC000001648498
ZINC000253498240
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