Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylleucine
Catalog ID
STL528555
SMILES CC(CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)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 C36H54N2O10 MW 674.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H54N2O10/c1-19(2)15-25(33(45)46)37-32(44)31(20(3)4)38-28(42)9-10-29(43)48-18-27(41)36(47)14-12-24-23-8-7-21-16-22(39)11-13-34(21,5)30(23)26(40)17-35(24,36)6/h16,19-20,23-26,30-31,40,47H,7-15,17-18H2,1-6H3,(H,37,44)(H,38,42)(H,45,46)/t23?,24?,2InChIKey
NHWZGIMDIXDYFH-BCEJOWFQSA-NSynonyms
16404710
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)4methylpentanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)4methylpentanoicacid
CC(CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C)C
InChI=1SC36H54N2O10c119(2)1525(33(45)46)3732(44)31(20(3)4)3828(42)91029(43)481827(41)36(47)1412242387211622(39)111334(215)30(23)26(40)1735(2436)6h161920232630314047H7151718H216H3(H3744)(H3842)(H4546)t23?24?25?26?30?31?343536m0s1
MFCD04072679
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylleucine
ZINC000253504055
ZINC000253504072
Check stock
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