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-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2-methylpropanoate
Catalog ID
STL558195
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C(C)C)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
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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 C41H51NO13 MW 765.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H51NO13/c1-18(2)40(50)54-36-24(8)37-31-29-27(44)17-26(34(47)30(29)36)42-39(49)20(4)14-12-13-19(3)32(45)22(6)33(46)23(7)35(53-25(9)43)21(5)28(51-11)15-16-52-41(10,55-37)38(31)48/h12-19,21-23,28,32-33,35,45-46H,1-11H3,(H,42,49)/b13-12-,16-15-,20InChIKey
KJXZNSAFVKNDJQ-KKGGUJFYSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2methylpropanoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2methylpropanoate
43915192
APHTHO(21B)FURAN5YL2METHYLPROPANOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C(C)C)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
InChI=1SC41H51NO13c118(2)40(50)543624(8)37312927(44)1726(34(47)30(29)36)4239(49)20(4)14121319(3)32(45)22(6)33(46)23(7)35(5325(9)43)21(5)28(5111)15165241(105537)38(31)48h12192123283233354546H111H3(H4249)b131216152014t1921+22+2328323335+41m0s1
ZINC000254350292
Check stock
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Check stock on Vitas-MAvailable files
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