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 3-chloro-4-m
Catalog ID
STL558160
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(c(c2)Cl)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 C50H59ClN2O13 MW 931.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H59ClN2O13/c1-24-17-18-32(23-33(24)51)49(61)65-45-30(7)46-37-35-36(45)42(57)38(39(43(35)58)53-20-12-11-13-21-53)52-48(60)26(3)16-14-15-25(2)40(55)28(5)41(56)29(6)44(64-31(8)54)27(4)34(62-10)19-22-63-50(9,66-46)47(37)59/h14-19,22-23,25,27-29,34InChIKey
IWYABMCTSJQLMK-XMAMRURTSA-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)3chloro4methylbe
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl3chloro4m
43915147
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(c(c2)Cl)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=1SC50H59ClN2O13c124171832(2333(24)51)49(61)654530(7)46373536(45)42(57)38(39(43(35)58)53201211132153)5248(60)26(3)16141525(2)40(55)28(5)41(56)29(6)44(6431(8)54)27(4)34(6210)19226350(96646)47(37)59h14192223252729344041445556H11132021H2110H3(H5260
ZINC000254839392
Check stock
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Check stock on Vitas-MAvailable files
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