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 4-methylbenzoate
Catalog ID
STL558154
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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 C45H51NO13 MW 813.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H51NO13/c1-21-14-16-29(17-15-21)44(54)58-40-27(7)41-35-33-31(48)20-30(38(51)34(33)40)46-43(53)23(3)13-11-12-22(2)36(49)25(5)37(50)26(6)39(57-28(8)47)24(4)32(55-10)18-19-56-45(9,59-41)42(35)52/h11-20,22,24-26,32,36-37,39,49-50H,1-10H3,(H,46,53)InChIKey
SGIFVQSXMNEDSK-WCKBMQDCSA-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)4methylbenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylbenzoate
43915142
APHTHO(21B)FURAN5YL4METHYLBENZOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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=1SC45H51NO13c121141629(171521)44(54)584027(7)41353331(48)2030(38(51)34(33)40)4643(53)23(3)13111222(2)36(49)25(5)37(50)26(6)39(5728(8)47)24(4)32(5510)18195645(95941)42(35)52h1120222426323637394950H110H3(H4653)b121119182313t2224+25+2632363739+45m
ZINC000254506576
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