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-(pyrrolidin-1-yl)-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone
Catalog ID
STL558124
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)N1CCCC1
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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 C39H50N2O11 MW 722.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H50N2O11/c1-18-12-11-13-19(2)38(49)40-28-29(41-15-9-10-16-41)35(47)25-26(34(28)46)33(45)23(6)36-27(25)37(48)39(7,52-36)51-17-14-24(50-8)20(3)31(43)22(5)32(44)21(4)30(18)42/h11-14,17-18,20-22,24,30-32,42-45H,9-10,15-16H2,1-8H3,(H,40,49)/b12-11+InChIKey
TVWFNXOWNNUFJH-ITRNCXKCSA-NSynonyms
(2S12Z14E16S17S18R19S20S21S22S23S24E)5171921tetrahydroxy23methoxy241216182022heptamethyl8(pyrrolidin1yl)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))2131517tetrahydroxy11methoxy371214161822heptamethyl26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaene6232729tetrone
16404462
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)N1CCCC1
InChI=1SC39H50N2O11c11812111319(2)38(49)402829(41159101641)35(47)2526(34(28)46)33(45)23(6)3627(25)37(48)39(75236)51171424(508)20(3)31(43)22(5)32(44)21(4)30(18)42h1114171820222430324245H9101516H218H3(H4049)b1211+1714+1913t1820+21+22+243031+3239m0s1
MFCD05730301
ZINC000254492380
ZINC79221574
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