Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(morpholin-4-yl)-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
STL558132
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)N1CCOCC1
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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 C41H52N2O13 MW 780.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H52N2O13/c1-19-11-10-12-20(2)40(51)42-30-31(43-14-17-53-18-15-43)36(49)27-28(35(30)48)34(47)24(6)38-29(27)39(50)41(8,56-38)54-16-13-26(52-9)21(3)37(55-25(7)44)23(5)33(46)22(4)32(19)45/h10-13,16,19,21-23,26,32-33,37,45-47H,14-15,17-18H2,1-9H3,(InChIKey
FDZJOADLPLBOQT-IZIHLWGHSA-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))21517trihydroxy11methoxy371214161822heptamethyl26morpholin4yl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl8(morpholin4yl)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16398476
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)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)N1CCOCC1
InChI=1SC41H52N2O13c11911101220(2)40(51)423031(43141753181543)36(49)2728(35(30)48)34(47)24(6)3829(27)39(50)41(85638)54161326(529)21(3)37(5525(7)44)23(5)33(46)22(4)32(19)45h101316192123263233374547H14151718H219H3(H4251)b1110+1613+2012t1921+22+23263233
MFCD03849924
ZINC000254480078
ZINC85896074
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