Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL529205
SMILES O=C(CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCCc1ccc(c(c1)O)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 C33H41NO9 MW 595.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO9/c1-31-12-9-21(35)16-20(31)4-5-22-23-10-13-33(42,32(23,2)17-26(38)30(22)31)27(39)18-43-29(41)8-7-28(40)34-14-11-19-3-6-24(36)25(37)15-19/h3,6,9,12,15-16,22-23,26,30,36-38,42H,4-5,7-8,10-11,13-14,17-18H2,1-2H3,(H,34,40)/t22?,23?,26?,30?,3InChIKey
NLCKTSCVJVRAIX-PAVBTBOMSA-NSynonyms
(2((10~(R)13~(S)17~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(34dihydroxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl4((2(34dihydroxyphenyl)ethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((34dihydroxyphenethyl)amino)4oxobutanoate
44662826
InChI=1SC33H41NO9c13112921(35)1620(31)452223101333(4232(232)1726(38)30(22)31)27(39)184329(41)8728(40)341411193624(36)25(37)1519h36912151622232630363842H4578101113141718H212H3(H3440)t22?23?26?30?313233+m0s1
MFCD02926241
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C)NCCc1ccc(c(c1)O)O
ZINC000253505870
ZINC000253505877
Check stock
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