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 benzoate
Catalog ID
STL558162
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2)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 C49H58N2O13 MW 883.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H58N2O13/c1-25-17-16-18-26(2)47(58)50-37-38(51-22-14-11-15-23-51)42(56)34-35(41(37)55)44(63-48(59)32-19-12-10-13-20-32)30(6)45-36(34)46(57)49(8,64-45)61-24-21-33(60-9)27(3)43(62-31(7)52)29(5)40(54)28(4)39(25)53/h10,12-13,16-21,24-25,27-29,33,3InChIKey
ZZKIZZPHRSGBCQ-HWGMAPQASA-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)benzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylbenzoate
43915150
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2)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=1SC49H58N2O13c12517161826(2)47(58)503738(51221411152351)42(56)3435(41(37)55)44(6348(59)32191210132032)30(6)4536(34)46(57)49(86445)61242133(609)27(3)43(6231(7)52)29(5)40(54)28(4)39(25)53h101213162124252729333940435354H1114152223H219H3(H5058)b171
ZINC000254751640
Check stock
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