Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-(3-carbamoylpiperidin-1-yl)-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
STL558147
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)N1CCCC(C1)C(=O)N
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C43H55N3O13 MW 821.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H55N3O13/c1-19-12-10-13-20(2)42(55)45-31-32(46-16-11-14-26(18-46)41(44)54)37(52)28-29(36(31)51)35(50)24(6)39-30(28)40(53)43(8,59-39)57-17-15-27(56-9)21(3)38(58-25(7)47)23(5)34(49)22(4)33(19)48/h10,12-13,15,17,19,21-23,26-27,33-34,38,48-50H,11,InChIKey
YUMLQNUDRZUHQE-SZDZBWGLSA-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(3carbamoylpiperidin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(3carbamoylpiperidin1yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
113)TRIENOIMINO)NAPHTHO(21B)FURAN21YLACETATE
16398867
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)N1CCCC(C1)C(=O)N
InChI=1SC43H55N3O13c11912101320(2)42(55)453132(4616111426(1846)41(44)54)37(52)2829(36(31)51)35(50)24(6)3930(28)40(53)43(85939)57171527(569)21(3)38(5825(7)47)23(5)34(49)22(4)33(19)48h101213151719212326273334384850H11141618H219H3(H24454)(H4555)b1210+17
MFCD03852364
ZINC001286671836
ZINC001286671837
Check stock
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