Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylphenyl)amino]-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone
Catalog ID
STL558167
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)Nc1ccc(cc1)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 C42H50N2O11 MW 758.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H50N2O11/c1-19-13-15-26(16-14-19)43-31-32-38(50)29-28(37(31)49)30-39(25(7)36(29)48)55-42(8,40(30)51)54-18-17-27(53-9)22(4)34(46)24(6)35(47)23(5)33(45)20(2)11-10-12-21(3)41(52)44-32/h10-18,20,22-24,27,33-35,43,45-48H,1-9H3,(H,44,52)/b11-10+,18-InChIKey
COMWUAHOGCVVNZ-FOTZHZFMSA-NSynonyms
(2S12Z14E16S17S18R19S20S21S22S23S24E)5171921tetrahydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)27(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))2131517tetrahydroxy11methoxy371214161822heptamethyl26(4methylanilino)830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaene6232729tetrone
16403745
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)Nc1ccc(cc1)C
InChI=1SC42H50N2O11c119131526(161419)43313238(50)2928(37(31)49)3039(25(7)36(29)48)5542(840(30)51)54181727(539)22(4)34(46)24(6)35(47)23(5)33(45)20(2)11101221(3)41(52)4432h1018202224273335434548H19H3(H4452)b1110+1817+2112t2022+23+24+273334+3542m0s1
MFCD05734911
ZINC000254622952
ZINC245225982
Check stock
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