Vitas-M small molecule compound
methyl 3-hydroxy-N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tyrosinate
Catalog ID
STL526839
SMILES COC(=O)C(Cc1ccc(c(c1)O)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 C33H42N2O7 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O7/c1-5-33(40)15-12-25-23-8-7-21-18-22(10-13-31(21,2)24(23)11-14-32(25,33)3)35-42-19-29(38)34-26(30(39)41-4)16-20-6-9-27(36)28(37)17-20/h1,6,9,17-18,23-26,36-37,40H,7-8,10-16,19H2,2-4H3,(H,34,38)/b35-22-/t23?,24?,25?,26?,31-,32-,33+/m0/s1InChIKey
BNCPOOPUSRHSRB-WAHUHFPUSA-NSynonyms
16397508
COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
InChI=1SC33H42N2O7c1533(40)1512252387211822(101331(212)24(23)111432(2533)3)35421929(38)3426(30(39)414)16206927(36)28(37)1720h16917182326363740H78101619H224H3(H3438)b3522t23?24?25?26?313233+m0s1
methyl3(34dihydroxyphenyl)2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoate
methyl3(34dihydroxyphenyl)2(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanoate
methyl3hydroxyN(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)tyrosinate
MFCD03006244
ZINC000070672069
ZINC000253499011
Check stock
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