Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-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-21-yl acet
Catalog ID
STL558148
SMILES COc1ccc(cc1)N1CCN(CC1)C1=C2NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]3(C(=O)c4c(C1=O)c(C2=O)c(O)c(c4O3)C)C)OC)C)OC(=O)C)C)/C
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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 C48H59N3O13 MW 886.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H59N3O13/c1-24-12-11-13-25(2)47(59)49-37-38(51-21-19-50(20-22-51)31-14-16-32(60-9)17-15-31)43(57)34-35(42(37)56)41(55)29(6)45-36(34)46(58)48(8,64-45)62-23-18-33(61-10)26(3)44(63-30(7)52)28(5)40(54)27(4)39(24)53/h11-18,23-24,26-28,33,39-40,44,5InChIKey
VCKWOVWEDVNOPY-UQVJMDIJSA-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))21517trihydroxy11methoxy26(4(4methoxyphenyl)piperazin1yl)371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)aceta
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy8(4(4methoxyphenyl)piperazin1yl)241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacet
16398461
COc1ccc(cc1)N1CCN(CC1)C1=C2NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@@H)(C)(C@H)(O)(C@@H)((C@@H)((C@@H)((C@H)(C=CO(C@@)3(C(=O)c4c(C1=O)c(C2=O)c(O)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC48H59N3O13c12412111325(2)47(59)493738(51211950(202251)31141632(609)171531)43(57)3435(42(37)56)41(55)29(6)4536(34)46(58)48(86445)62231833(6110)26(3)44(6330(7)52)28(5)40(54)27(4)39(24)53h111823242628333940445355H1922H2110H3(H4959)b1211+2318+25
MFCD03849864
ZINC000254898550
ZINC245226400
Check stock
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Check stock on Vitas-MAvailable files
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