Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylisoleucine
Catalog ID
STL528323
SMILES CCC(C(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/c1-7-20(4)31(33(45)46)38-32(44)30(19(2)3)37-27(42)10-11-28(43)48-18-26(41)36(47)15-13-24-23-9-8-21-16-22(39)12-14-34(21,5)29(23)25(40)17-35(24,36)6/h16,19-20,23-25,29-31,40,47H,7-15,17-18H2,1-6H3,(H,37,42)(H,38,44)(H,45,46)/t20?,23?,2InChIKey
SVMLVPRFQSDMBZ-LUDBXZJISA-NSynonyms
16404109
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3methylpentanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3methylpentanoicacid
CCC(C(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=1SC36H54N2O10c1720(4)31(33(45)46)3832(44)30(19(2)3)3727(42)101128(43)481826(41)36(47)1513242398211622(39)121434(215)29(23)25(40)1735(2436)6h161920232529314047H7151718H216H3(H3742)(H3844)(H4546)t20?23?24?25?29?30?31?343536m0s1
MFCD04073996
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylisoleucine
ZINC000253504175
ZINC000253504196
Check stock
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