Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(4-phenylpiperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Catalog ID
STL528631
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)N1CCC(CC1)c1ccccc1
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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 C48H58N2O12 MW 854.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H58N2O12/c1-24-14-13-15-25(2)47(58)49-37-38(50-21-18-32(19-22-50)31-16-11-10-12-17-31)43(56)34-35(42(37)55)41(54)29(6)45-36(34)46(57)48(8,62-45)60-23-20-33(59-9)26(3)44(61-30(7)51)28(5)40(53)27(4)39(24)52/h10-17,20,23-24,26-28,32-33,39-40,44,5InChIKey
JLMWABVZCLAJAA-XWYHJVRPSA-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))21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26(4phenylpiperidin1yl)830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(4phenylpiperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16400360
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)N1CCC(CC1)c1ccccc1
InChI=1SC48H58N2O12c12414131525(2)47(58)493738(50211832(192250)31161110121731)43(56)3435(42(37)55)41(54)29(6)4536(34)46(57)48(86245)60232033(599)26(3)44(6130(7)51)28(5)40(53)27(4)39(24)52h1017202324262832333940445254H18192122H219H3(H4958)b1413+2320+2
MFCD05671293
ZINC000254406007
ZINC253387635
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.