Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-(2,6-dimethylmorpholin-4-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
STL558201
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)N1CC(C)OC(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 C43H56N2O13 MW 808.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H56N2O13/c1-19-13-12-14-20(2)42(53)44-32-33(45-17-21(3)56-22(4)18-45)38(51)29-30(37(32)50)36(49)26(8)40-31(29)41(52)43(10,58-40)55-16-15-28(54-11)23(5)39(57-27(9)46)25(7)35(48)24(6)34(19)47/h12-16,19,21-25,28,34-35,39,47-49H,17-18H2,1-11H3,(H,InChIKey
BRABDVQJAQWAGD-QSOQGZSRSA-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(26dimethylmorpholin4yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(26dimethylmorpholin4yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16401021
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)N1CC(C)OC(C1)C
InChI=1SC43H56N2O13c11913121420(2)42(53)443233(451721(3)5622(4)1845)38(51)2930(37(32)50)36(49)26(8)4031(29)41(52)43(105840)55161528(5411)23(5)39(5727(9)46)25(7)35(48)24(6)34(19)47h1216192125283435394749H1718H2111H3(H4453)b1312+1615+2014t1921?22?23+24
MFCD05672406
ZINC000254605410
ZINC000254605414
Check stock
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