Vitas-M small molecule compound

ethyl N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tyrosinate

Catalog ID
STL529274
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)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 C33H44N2O6 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O6/c1-5-40-30(38)28(18-21-6-9-24(36)10-7-21)34-29(37)20-41-35-23-12-15-31(2)22(19-23)8-11-25-26(31)13-16-32(3)27(25)14-17-33(32,4)39/h6-7,9-10,12,15,19,25-28,36,39H,5,8,11,13-14,16-18,20H2,1-4H3,(H,34,37)/b35-23+/t25?,26?,27?,28?,31-,32-,
InChIKey
BZFPOLTTZCWCHL-FOFDETFRSA-N
Synonyms

16404264
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ethyl2(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
ethyl3(4hydroxyphenyl)2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoate
ethylN(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)tyrosinate
InChI=1SC33H44N2O6c154030(38)28(18216924(36)10721)3429(37)20413523121531(2)22(1923)8112526(31)131632(3)27(25)141733(324)39h6791012151925283639H58111314161820H214H3(H3437)b3523+t25?26?27?28?313233m0s1
MFCD05735779
ZINC000070700226
ZINC000253504351

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.