Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)tyrosinate
Catalog ID
STL526505
SMILES COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C35H43NO10 MW 637.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43NO10/c1-33-14-12-23(38)17-21(33)6-9-24-25-13-15-35(44,34(25,2)18-27(39)31(24)33)28(40)19-46-30(42)11-10-29(41)36-26(32(43)45-3)16-20-4-7-22(37)8-5-20/h4-5,7-8,12,14,17,24-27,31,37,39,44H,6,9-11,13,15-16,18-19H2,1-3H3,(H,36,41)/t24?,25?,26?,InChIKey
FWCFPYAVALXTLQ-PLEGIYRVSA-NSynonyms
(2((10~(R)13~(S)17~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((3(4hydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(4hydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
44662456
COC(=O)C(Cc1ccc(cc1)O)NC(=O)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
InChI=1SC35H43NO10c133141223(38)1721(33)692425131535(4434(252)1827(39)31(24)33)28(40)194630(42)111029(41)3626(32(43)453)16204722(37)8520h4578121417242731373944H69111315161819H213H3(H3641)t24?25?26?27?31?333435+m0s1
methylN(4(((8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)tyrosinate
MFCD02926150
ZINC000253504875
ZINC000253504889
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