Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-(3,5-dimethylbenzyl)-5,17,19-trihydroxy-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-21-yl acetate
Catalog ID
STL528604
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)Cc1cc(C)cc(c1)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 C46H55NO12 MW 813.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H55NO12/c1-21-17-22(2)19-30(18-21)20-31-36-41(53)34-33(40(31)52)35-43(28(8)39(34)51)59-46(10,44(35)54)57-16-15-32(56-11)25(5)42(58-29(9)48)27(7)38(50)26(6)37(49)23(3)13-12-14-24(4)45(55)47-36/h12-19,23,25-27,32,37-38,42,49-51H,20H2,1-11H3,(H,4InChIKey
VSXAFEPYVMYOJE-LASYNVCASA-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))26((35dimethylphenyl)methyl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(35dimethylbenzyl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
44660459
InChI=1SC46H55NO12c1211722(2)1930(1821)20313641(53)3433(40(31)52)3543(28(8)39(34)51)5946(1044(35)54)57161532(5611)25(5)42(5829(9)48)27(7)38(50)26(6)37(49)23(3)13121424(4)45(55)4736h1219232527323738424951H20H2111H3(H4755)b1312+1615+2414t2325+26+273237
MFCD04072594
ZINC000254376402
ZINC253488029
Check stock
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Check stock on Vitas-MAvailable files
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