Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL525740
SMILES COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)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/c1-20(36)26-11-12-27-25-10-7-22-18-23(13-15-32(22,2)28(25)14-16-33(26,27)3)35-41-19-30(38)34-29(31(39)40-4)17-21-5-8-24(37)9-6-21/h5-6,8-9,18,25-29,37H,7,10-17,19H2,1-4H3,(H,34,38)/b35-23-/t25?,26?,27?,28?,29?,32-,33+/m0/s1InChIKey
JPWWVSGLQAUOEU-ZRGVELABSA-NSynonyms
16396529
COC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
InChI=1SC33H44N2O6c120(36)2611122725107221823(131532(222)28(25)141633(2627)3)35411930(38)3429(31(39)404)17215824(37)9621h568918252937H7101719H214H3(H3438)b3523t25?26?27?28?29?3233+m0s1
methyl2((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxyphenyl)propanoate
methyl2(2(((Z)((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
methylN(((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)tyrosinate
MFCD01881480
ZINC000070669936
ZINC000253502572
Check stock
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Check stock on Vitas-MAvailable files
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