Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-O-methyltyrosine
Catalog ID
STL528668
SMILES COc1ccc(cc1)CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[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 C35H45NO9 MW 623.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45NO9/c1-33-15-12-23(37)19-22(33)6-9-25-26(33)13-16-34(2)27(25)14-17-35(34,43)29(38)20-45-31(40)11-10-30(39)36-28(32(41)42)18-21-4-7-24(44-3)8-5-21/h4-5,7-8,19,25-28,43H,6,9-18,20H2,1-3H3,(H,36,39)(H,41,42)/t25?,26?,27?,28?,33-,34-,35-/m0/s1InChIKey
HVIBYUDKRWRRHK-MLYGFSDXSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(4methoxyphenyl)propanoicacid
2(4(2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(4methoxyphenyl)propanoicacid
44662446
COc1ccc(cc1)CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC35H45NO9c133151223(37)1922(33)692526(33)131634(2)27(25)141735(3443)29(38)204531(40)111030(39)3628(32(41)42)18214724(443)8521h457819252843H691820H213H3(H3639)(H4142)t25?26?27?28?333435m0s1
MFCD03267505
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)Omethyltyrosine
ZINC000253505046
ZINC000253505052
Check stock
See real-time availability and sample size for STL528668 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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