Vitas-M small molecule compound
methyl 3-hydroxy-N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)tyrosinate
Catalog ID
STL526966
SMILES COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[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 C33H43NO8 MW 581.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO8/c1-32-14-12-21(35)18-20(32)5-6-22-23-7-9-28(33(23,2)15-13-24(22)32)42-30(39)11-10-29(38)34-25(31(40)41-3)16-19-4-8-26(36)27(37)17-19/h4,8,17-18,22-25,28,36-37H,5-7,9-16H2,1-3H3,(H,34,38)/t22?,23?,24?,25?,28?,32-,33-/m0/s1InChIKey
VOSGUYKLNFVTOE-WSGMYZLOSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4((3(34dihydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
(10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4((3(34dihydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
16397538
COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC33H43NO8c132141221(35)1820(32)5622237928(33(232)151324(22)32)4230(39)111029(38)3425(31(40)413)16194826(36)27(37)1719h4817182225283637H57916H213H3(H3438)t22?23?24?25?28?3233m0s1
methyl3hydroxyN(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)tyrosinate
MFCD03006399
ZINC000253506523
ZINC000253506540
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