Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL525546
SMILES COC(=O)C(Cc1ccc(cc1)O)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 C33H42N2O6 MW 562.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O6/c1-5-33(39)17-14-27-25-11-8-22-19-23(12-15-31(22,2)26(25)13-16-32(27,33)3)35-41-20-29(37)34-28(30(38)40-4)18-21-6-9-24(36)10-7-21/h1,6-7,9-10,19,25-28,36,39H,8,11-18,20H2,2-4H3,(H,34,37)/b35-23-/t25?,26?,27?,28?,31-,32-,33+/m0/s1InChIKey
NJUFAUPMRRDVBN-CNSIQLBLSA-NSynonyms
16396450
COC(=O)C(Cc1ccc(cc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
InChI=1SC33H42N2O6c1533(39)17142725118221923(121531(222)26(25)131632(2733)3)35412029(37)3428(30(38)404)18216924(36)10721h1679101925283639H8111820H224H3(H3437)b3523t25?26?27?28?313233+m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxyphenyl)propanoate
methyl2(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxyphenyl)propanoate
methylN(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)tyrosinate
MFCD01880953
ZINC000070669897
ZINC000253501867
Check stock
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