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-(phenylcarbonyl)piperazin-1-yl]-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl aceta

Catalog ID
STL558141
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)N1CCN(CC1)C(=O)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 C48H57N3O13 MW 883.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H57N3O13/c1-24-14-13-15-25(2)46(59)49-36-37(50-19-21-51(22-20-50)47(60)31-16-11-10-12-17-31)42(57)33-34(41(36)56)40(55)29(6)44-35(33)45(58)48(8,64-44)62-23-18-32(61-9)26(3)43(63-30(7)52)28(5)39(54)27(4)38(24)53/h10-18,23-24,26-28,32,38-39,43,5
InChIKey
XRJZHIKWAQXHES-FEBSQBGDSA-N
Synonyms

((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(4benzoylpiperazin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(4(phenylcarbonyl)piperazin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylaceta
16399076
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)N1CCN(CC1)C(=O)c1ccccc1
InChI=1SC48H57N3O13c12414131525(2)46(59)493637(50192151(222050)47(60)31161110121731)42(57)3334(41(36)56)40(55)29(6)4435(33)45(58)48(86444)62231832(619)26(3)43(6330(7)52)28(5)39(54)27(4)38(24)53h101823242628323839435355H1922H219H3(H4959)b1413+2318+251
MFCD03853855
ZINC000254555546
ZINC245226454

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Available files

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