Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylphenylalanine
Catalog ID
STL528381
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)NC(C(=O)O)Cc1ccccc1)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 C39H52N2O10 MW 708.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H52N2O10/c1-22(2)34(35(47)40-28(36(48)49)18-23-8-6-5-7-9-23)41-31(45)12-13-32(46)51-21-30(44)39(50)17-15-27-26-11-10-24-19-25(42)14-16-37(24,3)33(26)29(43)20-38(27,39)4/h5-9,19,22,26-29,33-34,43,50H,10-18,20-21H2,1-4H3,(H,40,47)(H,41,45)(H,48,InChIKey
JRBSQVCJFAEFQM-NBDSEKDBSA-NSynonyms
16405090
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3phenylpropanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3phenylpropanoicacid
InChI=1SC39H52N2O10c122(2)34(35(47)4028(36(48)49)18238657923)4131(45)121332(46)512130(44)39(50)171527261110241925(42)141637(243)33(26)29(43)2038(2739)4h591922262933344350H10182021H214H3(H4047)(H4145)(H4849)t26?27?28?29?33?34?373839m0s1
MFCD04080835
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylphenylalanine
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)C(C)C
ZINC000253503974
ZINC000253503998
Check stock
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