Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylthreonine
Catalog ID
STL528575
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)C(O)C)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 C34H50N2O11 MW 662.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50N2O11/c1-17(2)28(30(43)36-29(18(3)37)31(44)45)35-25(41)8-9-26(42)47-16-24(40)34(46)13-11-22-21-7-6-19-14-20(38)10-12-32(19,4)27(21)23(39)15-33(22,34)5/h14,17-18,21-23,27-29,37,39,46H,6-13,15-16H2,1-5H3,(H,35,41)(H,36,43)(H,44,45)/t18?,21?,2InChIKey
JFLGWYQHQKEMMN-VIAGRHGPSA-NSynonyms
16404011
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3hydroxybutanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3hydroxybutanoicacid
InChI=1SC34H50N2O11c117(2)28(30(43)3629(18(3)37)31(44)45)3525(41)8926(42)471624(40)34(46)1311222176191420(38)101232(194)27(21)23(39)1533(2234)5h14171821232729373946H6131516H215H3(H3541)(H3643)(H4445)t18?21?22?23?27?28?29?323334m0s1
MFCD04080174
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylthreonine
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)C(O)C)C(C)C
ZINC000253503954
ZINC000253503964
Check stock
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