Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-8-[(2-ethylphenyl)amino]-5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone
Catalog ID
STL528499
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)O)C)O)C)O)C)/C)Nc1ccccc1CC
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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 C43H52N2O11 MW 772.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H52N2O11/c1-10-26-16-11-12-17-27(26)44-32-33-39(51)30-29(38(32)50)31-40(25(7)37(30)49)56-43(8,41(31)52)55-19-18-28(54-9)22(4)35(47)24(6)36(48)23(5)34(46)20(2)14-13-15-21(3)42(53)45-33/h11-20,22-24,28,34-36,44,46-49H,10H2,1-9H3,(H,45,53)/b14-13InChIKey
IZDYRXBFTDBGQL-NGZGZMSRSA-NSynonyms
(2S12Z14E16S17S18R19S20S21S22S23S24E)8((2ethylphenyl)amino)5171921tetrahydroxy23methoxy241216182022heptamethyl27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan16911(2H)tetrone
(7~(S)9~(E)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))26(2ethylanilino)2131517tetrahydroxy11methoxy371214161822heptamethyl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaene6232729tetrone
16403736
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)O)C)O)C)O)C)C)Nc1ccccc1CC
InChI=1SC43H52N2O11c110261611121727(26)44323339(51)3029(38(32)50)3140(25(7)37(30)49)5643(841(31)52)55191828(549)22(4)35(47)24(6)36(48)23(5)34(46)20(2)14131521(3)42(53)4533h11202224283436444649H10H219H3(H4553)b1413+1918+2115t2022+23+24+283435+3643m0s1
MFCD04073549
ZINC000254484763
ZINC253387630
Check stock
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Check stock on Vitas-MAvailable files
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