Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Catalog ID
STL527007
SMILES COC(=O)C(Cc1ccc(c(c1)[N+](=O)[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 C33H41N3O8 MW 607.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O8/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)35-44-19-29(38)34-26(30(39)43-4)16-20-6-9-28(37)27(17-20)36(41)42/h1,6,9,17-18,23-26,37,40H,7-8,10-16,19H2,2-4H3,(H,34,38)/b35-22-/t23?,24?,25?,26?,31-,32-,33+/m0InChIKey
GCCJBFBIMQSRGZ-WAHUHFPUSA-NSynonyms
16397528
COC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C
InChI=1SC33H41N3O8c1533(40)1512252387211822(101331(212)24(23)111432(2533)3)35441929(38)3426(30(39)434)16206928(37)27(1720)36(41)42h169171823263740H78101619H224H3(H3438)b3522t23?24?25?26?313233+m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxy3nitrophenyl)propanoate
methyl2(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxy3nitrophenyl)propanoate
methylN(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)3nitrotyrosinate
MFCD03006347
ZINC000070672134
ZINC000257198689
Check stock
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