Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]phenylalanine
Catalog ID
STL527204
SMILES O=C(NC(C(=O)O)Cc1ccccc1)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 C31H40N2O5 MW 520.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O5/c1-29-14-11-22(33-38-19-27(34)32-26(28(35)36)17-20-7-5-4-6-8-20)18-21(29)9-10-23-24(29)12-15-30(2)25(23)13-16-31(30,3)37/h4-8,11,14,18,23-26,37H,9-10,12-13,15-17,19H2,1-3H3,(H,32,34)(H,35,36)/b33-22+/t23?,24?,25?,26?,29-,30-,31-/m0/s1InChIKey
RSSUHIZNGFAGKJ-UBNUMHLVSA-NSynonyms
16397907
2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylpropanoicacid
2(2(((E)((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3phenylpropanoicacid
InChI=1SC31H40N2O5c129141122(33381927(34)3226(28(35)36)17207546820)1821(29)9102324(29)121530(2)25(23)131631(303)37h48111418232637H9101213151719H213H3(H3234)(H3536)b3322+t23?24?25?26?293031m0s1
MFCD03267881
N(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)phenylalanine
O=C(NC(C(=O)O)Cc1ccccc1)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000118918764
ZINC000253499938
Check stock
See real-time availability and sample size for STL527204 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.