Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalaninate
Catalog ID
STL525896
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#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 C33H42N2O5 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O5/c1-5-33(38)18-15-27-25-12-11-23-20-24(13-16-31(23,2)26(25)14-17-32(27,33)3)35-40-21-29(36)34-28(30(37)39-4)19-22-9-7-6-8-10-22/h1,6-10,20,25-28,38H,11-19,21H2,2-4H3,(H,34,36)/b35-24-/t25?,26?,27?,28?,31-,32-,33+/m0/s1InChIKey
SGVBIHAXVPJFAC-RKKNGUSHSA-NSynonyms
135639102
COC(=O)C(Cc1ccccc1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C#C)C)C
InChI=1SC33H42N2O5c1533(38)181527251211232024(131631(232)26(25)141732(2733)3)35402129(36)3428(30(37)394)192297681022h161020252838H111921H224H3(H3436)b3524t25?26?27?28?313233+m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoate
methyl2(2(((Z)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylpropanoate
methylN(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)phenylalaninate
MFCD01881401
ZINC001772491982
ZINC001772491985
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