Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-8-[(4-methoxyphenyl)amino]-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-5-yl benz
Catalog ID
STL558172
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)Nc1ccc(cc1)OC
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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 C51H56N2O14 MW 921.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H56N2O14/c1-25-15-14-16-26(2)49(60)53-40-39(52-33-19-21-34(62-9)22-20-33)43(57)36-37(44(40)58)46(66-50(61)32-17-12-11-13-18-32)30(6)47-38(36)48(59)51(8,67-47)64-24-23-35(63-10)27(3)45(65-31(7)54)29(5)42(56)28(4)41(25)55/h11-25,27-29,35,41-42,4InChIKey
XCQMJKQCCMJJOM-SSADYKOKSA-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))13acetyloxy1517dihydroxy11methoxy26(4methoxyanilino)371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)benzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy8((4methoxyphenyl)amino)241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylbenz
43915163
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)Nc1ccc(cc1)OC
InChI=1SC51H56N2O14c12515141626(2)49(60)534039(5233192134(629)222033)43(57)3637(44(40)58)46(6650(61)32171211131832)30(6)4738(36)48(59)51(86747)64242335(6310)27(3)45(6531(7)54)29(5)42(56)28(4)41(25)55h1125272935414245525556H110H3(H5360)b151424232616t2
ZINC000254312798
Check stock
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Check stock on Vitas-MAvailable files
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