Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)threonine
Catalog ID
STL537549
SMILES O=C(NC(C(=O)O)C(O)C)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C27H39NO7 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39NO7/c1-15(29)24(25(33)34)28-22(31)8-9-23(32)35-21-7-6-19-18-5-4-16-14-17(30)10-12-26(16,2)20(18)11-13-27(19,21)3/h14-15,18-21,24,29H,4-13H2,1-3H3,(H,28,31)(H,33,34)/t15?,18?,19?,20?,21?,24?,26-,27-/m0/s1InChIKey
PFYUSWKCIDXZRV-ZSFMDKPCSA-NSynonyms
135639490
2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3hydroxybutanoicacid
2(4(((8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3hydroxybutanoicacid
InChI=1SC27H39NO7c115(29)24(25(33)34)2822(31)8923(32)352176191854161417(30)101226(162)20(18)111327(1921)3h141518212429H413H213H3(H2831)(H3334)t15?18?19?20?21?24?2627m0s1
MFCD03660831
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)threonine
O=C(NC(C(=O)O)C(O)C)CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000504714303
ZINC001772492592
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.