Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-methylbenz
Catalog ID
STL558150
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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)N1CCCCC1
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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 C50H60N2O13 MW 897.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H60N2O13/c1-25-17-19-33(20-18-25)49(60)64-45-31(7)46-37-35-36(45)42(56)38(39(43(35)57)52-22-12-11-13-23-52)51-48(59)27(3)16-14-15-26(2)40(54)29(5)41(55)30(6)44(63-32(8)53)28(4)34(61-10)21-24-62-50(9,65-46)47(37)58/h14-21,24,26,28-30,34,40-41,4InChIKey
XVVOKYPBUCCTSF-DTKTWJDNSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26piperidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylbenz
43915139
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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)N1CCCCC1
InChI=1SC50H60N2O13c125171933(201825)49(60)644531(7)46373536(45)42(56)38(39(43(35)57)52221211132352)5148(59)27(3)16141526(2)40(54)29(5)41(55)30(6)44(6332(8)53)28(4)34(6110)21246250(96546)47(37)58h142124262830344041445455H11132223H2110H3(H5159)b151424
ZINC000254707371
Check stock
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Check stock on Vitas-MAvailable files
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