Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-8-[(3-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-21-yl acetate
Catalog ID
STL529280
SMILES COc1cccc(c1)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(O)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 C44H52N2O13 MW 816.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H52N2O13/c1-20-13-11-14-21(2)43(54)46-34-33(45-27-15-12-16-28(19-27)55-9)38(51)30-31(39(34)52)37(50)25(6)41-32(30)42(53)44(8,59-41)57-18-17-29(56-10)22(3)40(58-26(7)47)24(5)36(49)23(4)35(20)48/h11-20,22-24,29,35-36,40,45,48-50H,1-10H3,(H,46,54InChIKey
FZGBMGVZTSXDFW-CFMWXENESA-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))21517trihydroxy11methoxy26(3methoxyanilino)371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy8((3methoxyphenyl)amino)241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16400848
COc1cccc(c1)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(O)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC44H52N2O13c12013111421(2)43(54)463433(452715121628(1927)559)38(51)3031(39(34)52)37(50)25(6)4132(30)42(53)44(85941)57181729(5610)22(3)40(5826(7)47)24(5)36(49)23(4)35(20)48h1120222429353640454850H110H3(H4654)b1311+1817+2114t2022+23+2429353640+
MFCD05672125
ZINC000254391493
ZINC253387615
Check stock
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Check stock on Vitas-MAvailable files
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