Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-(benzylamino)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Catalog ID
STL541823
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)NCc1ccccc1
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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 C44H52N2O12 MW 800.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H52N2O12/c1-21-14-13-15-22(2)43(54)46-34-33(45-20-28-16-11-10-12-17-28)38(51)30-31(39(34)52)37(50)26(6)41-32(30)42(53)44(8,58-41)56-19-18-29(55-9)23(3)40(57-27(7)47)25(5)36(49)24(4)35(21)48/h10-19,21,23-25,29,35-36,40,45,48-50H,20H2,1-9H3,(H,4InChIKey
YZEYHNAODUWCAC-KQXLETIXSA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))26(benzylamino)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(benzylamino)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
17352824
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)NCc1ccccc1
InChI=1SC44H52N2O12c12114131522(2)43(54)463433(452028161110121728)38(51)3031(39(34)52)37(50)26(6)4132(30)42(53)44(85841)56191829(559)23(3)40(5727(7)47)25(5)36(49)24(4)35(21)48h101921232529353640454850H20H219H3(H4654)b1413+1918+2215t2123+24+2529353640
MFCD04073953
ZINC000254806538
ZINC253389869
Check stock
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Check stock on Vitas-MAvailable files
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