Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylproline
Catalog ID
STL528494
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)N1CCCC1C(=O)O)C(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 C35H50N2O10 MW 658.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H50N2O10/c1-19(2)30(31(43)37-15-5-6-24(37)32(44)45)36-27(41)9-10-28(42)47-18-26(40)35(46)14-12-23-22-8-7-20-16-21(38)11-13-33(20,3)29(22)25(39)17-34(23,35)4/h16,19,22-25,29-30,39,46H,5-15,17-18H2,1-4H3,(H,36,41)(H,44,45)/t22?,23?,24?,25?,29?,3InChIKey
OBKXXOQKGPZOES-PWGFVQQGSA-NSynonyms
1(2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)pyrrolidine2carboxylicacid
1(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanoyl)pyrrolidine2carboxylicacid
16404192
InChI=1SC35H50N2O10c119(2)30(31(43)37155624(37)32(44)45)3627(41)91028(42)471826(40)35(46)1412232287201621(38)111333(203)29(22)25(39)1734(2335)4h1619222529303946H5151718H214H3(H3641)(H4445)t22?23?24?25?29?30?333435m0s1
MFCD04075338
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylproline
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C
ZINC000253504111
ZINC000253504128
Check stock
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Check stock on Vitas-MAvailable files
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