Vitas-M small molecule compound
ethyl beta-hydroxy-N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalaninate
Catalog ID
STL526927
SMILES CCOC(=O)C(C(c1ccccc1)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 C34H44N2O6 MW 576.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N2O6/c1-5-34(40)19-16-27-25-13-12-23-20-24(14-17-32(23,3)26(25)15-18-33(27,34)4)36-42-21-28(37)35-29(31(39)41-6-2)30(38)22-10-8-7-9-11-22/h1,7-11,20,25-27,29-30,38,40H,6,12-19,21H2,2-4H3,(H,35,37)/b36-24-/t25?,26?,27?,29?,30?,32-,33-,34+/m0InChIKey
IQENTYZAPUXXJH-IWCRZDMDSA-NSynonyms
16397423
CCOC(=O)C(C(c1ccccc1)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
ethyl2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxy3phenylpropanoate
ethyl2(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxy3phenylpropanoate
ethylbetahydroxyN(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)phenylalaninate
InChI=1SC34H44N2O6c1534(40)191627251312232024(141732(233)26(25)151833(2734)4)36422128(37)3529(31(39)4162)30(38)22108791122h171120252729303840H6121921H224H3(H3537)b3624t25?26?27?29?30?323334+m0s1
MFCD03005887
ZINC000070671695
ZINC000253502557
Check stock
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