Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-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-5-yl tricyclo[3.3.1.1~3,7~]decane-1-
Catalog ID
STL558193
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C23CC4CC(C3)CC(C2)C4)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
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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 C48H59NO13 MW 858.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H59NO13/c1-22-11-10-12-23(2)45(56)49-32-18-33(51)35-36(40(32)54)42(61-46(57)48-19-29-15-30(20-48)17-31(16-29)21-48)27(6)43-37(35)44(55)47(8,62-43)59-14-13-34(58-9)24(3)41(60-28(7)50)26(5)39(53)25(4)38(22)52/h10-14,18,22,24-26,29-31,34,38-39,41InChIKey
OHUHREATTUBVAH-SVBUJXDOSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)adamantane1carboxylate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yltricyclo(3311~37~)decane1
43915190
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C23CC4CC(C3)CC(C2)C4)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
InChI=1SC48H59NO13c12211101223(2)45(56)49321833(51)3536(40(32)54)42(6146(57)4819291530(2048)1731(1629)2148)27(6)4337(35)44(55)47(86243)59141334(589)24(3)41(6028(7)50)26(5)39(53)25(4)38(22)52h1014182224262931343839415253H15171921H219H3(H4956)b11101413
ZINC001286671823
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