Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-y
Catalog ID
STL528207
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)N1CCN(CC1)c1cc(C)nc2c1cccc2
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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 C51H60N4O12 MW 921.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H60N4O12/c1-25-14-13-15-26(2)50(63)53-40-41(55-21-19-54(20-22-55)35-24-27(3)52-34-17-12-11-16-33(34)35)46(61)37-38(45(40)60)44(59)31(7)48-39(37)49(62)51(9,67-48)65-23-18-36(64-10)28(4)47(66-32(8)56)30(6)43(58)29(5)42(25)57/h11-18,23-25,28-30,3InChIKey
HTABAKXDSDOMBN-GPAWMRHSSA-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))21517trihydroxy11methoxy371214161822heptamethyl26(4(2methylquinolin4yl)piperazin1yl)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)a
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl8(4(2methylquinolin4yl)piperazin1yl)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21y
16398774
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)N1CCN(CC1)c1cc(C)nc2c1cccc2
InChI=1SC51H60N4O12c12514131526(2)50(63)534041(55211954(202255)352427(3)52341712111633(34)35)46(61)3738(45(40)60)44(59)31(7)4839(37)49(62)51(96748)65231836(6410)28(4)47(6632(8)56)30(6)43(58)29(5)42(25)57h111823252830364243475759H1922H2110H3(H5363)b14
MFCD03851723
ZINC000254558416
ZINC253387742
Check stock
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Check stock on Vitas-MAvailable files
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