Vitas-M small molecule compound

(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(dimethylamino)-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 cyclohexaneca

Catalog ID
STL558189
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)C2CCCCC2)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)N(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 C46H60N2O13 MW 848.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H60N2O13/c1-22-16-15-17-23(2)44(55)47-34-35(48(9)10)39(53)31-32(38(34)52)41(60-45(56)29-18-13-12-14-19-29)27(6)42-33(31)43(54)46(8,61-42)58-21-20-30(57-11)24(3)40(59-28(7)49)26(5)37(51)25(4)36(22)50/h15-17,20-22,24-26,29-30,36-37,40,50-51H,12-
InChIKey
RMBWSMLHEVFJTJ-LNPMJTLOSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy26(dimethylamino)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)cyclohexaneca
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)8(dimethylamino)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylcyclohexaneca
113)TRIENOIMINO)NAPHTHO(21B)FURAN5YLCYCLOHEXANECA
43915182
InChI=1SC46H60N2O13c12216151723(2)44(55)473435(48(9)10)39(53)3132(38(34)52)41(6045(56)29181312141929)27(6)4233(31)43(54)46(86142)58212030(5711)24(3)40(5928(7)49)26(5)37(51)25(4)36(22)50h15172022242629303637405051H12141819H2111H3(H4755)b161521202317t2
ZINC000254795544

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Available files

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