Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-8-[(4-methoxyphenyl)amino]-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 4-me
Catalog ID
STL558176
SMILES COc1ccc(cc1)NC1=C2NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H]([C@@H]([C@@H]([C@H](/C=C\O[C@@]3(C(=O)c4c(C1=O)c(C2=O)c(OC(=O)c1ccc(cc1)C)c(c4O3)C)C)OC)C)OC(=O)C)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 C52H58N2O14 MW 935.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H58N2O14/c1-25-15-17-33(18-16-25)51(62)67-47-31(7)48-39-37-38(47)45(59)41(40(44(37)58)53-34-19-21-35(63-10)22-20-34)54-50(61)27(3)14-12-13-26(2)42(56)29(5)43(57)30(6)46(66-32(8)55)28(4)36(64-11)23-24-65-52(9,68-48)49(39)60/h12-24,26,28-30,36,4InChIKey
FQUDJJZUNNQPPW-AVIUOOIPSA-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))13acetyloxy1517dihydroxy11methoxy26(4methoxyanilino)371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenz
43915168
COc1ccc(cc1)NC1=C2NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@@H)(C)(C@H)(O)(C@@H)((C@@H)((C@@H)((C@H)(C=CO(C@@)3(C(=O)c4c(C1=O)c(C2=O)c(OC(=O)c1ccc(cc1)C)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC52H58N2O14c125151733(181625)51(62)674731(7)48393738(47)45(59)41(40(44(37)58)5334192135(6310)222034)5450(61)27(3)14121326(2)42(56)29(5)43(57)30(6)46(6632(8)55)28(4)36(6411)23246552(96848)49(39)60h122426283036424346535657H111H3(H5461)b13122423
ZINC000263629444
Check stock
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Check stock on Vitas-MAvailable files
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