Vitas-M small molecule compound
ethyl N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tyrosinate
Catalog ID
STL528691
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=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 C36H45NO10 MW 651.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45NO10/c1-4-46-33(44)27(17-21-5-8-23(38)9-6-21)37-30(42)11-12-31(43)47-20-29(41)36(45)16-14-26-25-10-7-22-18-24(39)13-15-34(22,2)32(25)28(40)19-35(26,36)3/h5-6,8-9,18,25-27,32,38,45H,4,7,10-17,19-20H2,1-3H3,(H,37,42)/t25?,26?,27?,32?,34-,35-,InChIKey
ARGSAHDGPPMQOI-AYWCRELUSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4((1ethoxy3(4hydroxyphenyl)1oxopropan2yl)amino)4oxobutanoate
16403694
2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((1ethoxy3(4hydroxyphenyl)1oxopropan2yl)amino)4oxobutanoate
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C
ethylN(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)tyrosinate
InChI=1SC36H45NO10c144633(44)27(17215823(38)9621)3730(42)111231(43)472029(41)36(45)16142625107221824(39)131534(222)32(25)28(40)1935(2636)3h5689182527323845H4710171920H213H3(H3742)t25?26?27?32?343536m0s1
MFCD05726533
ZINC000079221195
ZINC000253504223
Check stock
See real-time availability and sample size for STL528691 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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