Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL525120
SMILES COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C31H42N2O6 MW 538.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N2O6/c1-30-14-12-21(17-20(30)6-9-23-24-10-11-27(35)31(24,2)15-13-25(23)30)33-39-18-28(36)32-26(29(37)38-3)16-19-4-7-22(34)8-5-19/h4-5,7-8,17,23-27,34-35H,6,9-16,18H2,1-3H3,(H,32,36)/b33-21-/t23?,24?,25?,26?,27?,30-,31-/m0/s1InChIKey
MAEPYJUICLHISC-PXQLQMEXSA-NSynonyms
135639021
COC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@H)2O)C)C
InChI=1SC31H42N2O6c130141221(1720(30)692324101127(35)31(242)151325(23)30)33391828(36)3226(29(37)383)16194722(34)8519h45781723273435H691618H213H3(H3236)b3321t23?24?25?26?27?3031m0s1
methyl2((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxyphenyl)propanoate
methyl2(2(((Z)((8R9S10R13S14S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
methylN(((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)tyrosinate
MFCD01845628
ZINC001772491601
ZINC001772491604
Check stock
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Check stock on Vitas-MAvailable files
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