Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Catalog ID
STL528894
SMILES COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)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 C32H41N3O8 MW 595.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O8/c1-30-12-9-21(17-20(30)6-7-22-23(30)10-13-31(2)24(22)11-14-32(31,3)39)34-43-18-28(37)33-25(29(38)42-4)15-19-5-8-27(36)26(16-19)35(40)41/h5,8-9,12,16-17,22-25,36,39H,6-7,10-11,13-15,18H2,1-4H3,(H,33,37)/b34-21+/t22?,23?,24?,25?,30-,31-,InChIKey
OPANMDJNUGRZNI-PRDXOMSSSA-NSynonyms
16404345
COC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))O)NC(=O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
InChI=1SC32H41N3O8c13012921(1720(30)672223(30)101331(2)24(22)111432(313)39)34431828(37)3325(29(38)424)15195827(36)26(1619)35(40)41h58912161722253639H671011131518H214H3(H3337)b3421+t22?23?24?25?303132m0s1
methyl2(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3(4hydroxy3nitrophenyl)propanoate
methyl3(4hydroxy3nitrophenyl)2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoate
methylN(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)3nitrotyrosinate
MFCD05725519
ZINC000070700410
ZINC000253522728
Check stock
See real-time availability and sample size for STL528894 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.