Vitas-M small molecule compound
ethyl N-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL528908
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)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 C34H46N2O9 MW 626.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N2O9/c1-4-44-31(42)26(15-20-5-8-23(38)9-6-20)35-29(41)19-45-36-22-11-13-32(2)21(16-22)7-10-24-25-12-14-34(43,28(40)18-37)33(25,3)17-27(39)30(24)32/h5-6,8-9,16,24-27,30,37-39,43H,4,7,10-15,17-19H2,1-3H3,(H,35,41)/b36-22+/t24?,25?,26?,27?,30?InChIKey
KTYRLEPPWJJZSP-SQIOHHFYSA-NSynonyms
16404771
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2C(O)C(C@)2(C1CC(C@)2(O)C(=O)CO)C)C
ethyl2((2((~(E))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxyphenyl)propanoate
ethyl2(2((((10R13S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
ethylN(((((3E8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)tyrosinate
InChI=1SC34H46N2O9c144431(42)26(15205823(38)9620)3529(41)19453622111332(2)21(1622)7102425121434(4328(40)1837)33(253)1727(39)30(24)32h568916242730373943H4710151719H213H3(H3541)b3622+t24?25?26?27?30?323334m0s1
MFCD05733831
ZINC000253505501
ZINC000253505526
Check stock
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