Vitas-M small molecule compound

(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(pyrrolidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl benzoate

Catalog ID
STL558183
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2)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)N1CCCC1

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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 C48H56N2O13 MW 868.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H56N2O13/c1-24-16-15-17-25(2)46(57)49-36-37(50-21-13-14-22-50)41(55)33-34(40(36)54)43(62-47(58)31-18-11-10-12-19-31)29(6)44-35(33)45(56)48(8,63-44)60-23-20-32(59-9)26(3)42(61-30(7)51)28(5)39(53)27(4)38(24)52/h10-12,15-20,23-24,26-28,32,38-39,4
InChIKey
KORIWTBVCRGBKL-RYYOZLCOSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)benzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(pyrrolidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylbenzoate
43915176
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2)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)N1CCCC1
InChI=1SC48H56N2O13c12416151725(2)46(57)493637(502113142250)41(55)3334(40(36)54)43(6247(58)31181110121931)29(6)4435(33)45(56)48(86344)60232032(599)26(3)42(6130(7)51)28(5)39(53)27(4)38(24)52h1012152023242628323839425253H13142122H219H3(H4957)b161523202
ZINC000254340382

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Available files

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