Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL527038
SMILES COC(=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 C32H42N2O6 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O6/c1-30-14-11-22(18-21(30)7-10-24-25(30)12-15-31(2)26(24)13-16-32(31,3)38)34-40-19-28(36)33-27(29(37)39-4)17-20-5-8-23(35)9-6-20/h5-6,8-9,11,14,18,24-27,35,38H,7,10,12-13,15-17,19H2,1-4H3,(H,33,36)/b34-22+/t24?,25?,26?,27?,30-,31-,32-/m0InChIKey
CWWFMLSGAXITSE-LZEFYCJVSA-NSynonyms
16397745
COC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
InChI=1SC32H42N2O6c130141122(1821(30)7102425(30)121531(2)26(24)131632(313)38)34401928(36)3327(29(37)394)17205823(35)9620h568911141824273538H7101213151719H214H3(H3336)b3422+t24?25?26?27?303132m0s1
methyl2(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
methyl3(4hydroxyphenyl)2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoate
methylN(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)tyrosinate
MFCD03267018
ZINC000070672574
ZINC000253503065
Check stock
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