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 2,2-dimethylpropanoate
Catalog ID
STL558161
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C(C)(C)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 C42H53NO13 MW 779.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H53NO13/c1-19-14-13-15-20(2)39(50)43-26-18-27(45)29-30(34(26)48)36(55-40(51)41(8,9)10)24(6)37-31(29)38(49)42(11,56-37)53-17-16-28(52-12)21(3)35(54-25(7)44)23(5)33(47)22(4)32(19)46/h13-19,21-23,28,32-33,35,46-47H,1-12H3,(H,43,50)/b14-13-,17-16-InChIKey
YFJXUANYXFYWKB-YWNOEOJJSA-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)22dimethylpropanoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl22dimethylpropanoate
43915148
APHTHO(21B)FURAN5YL22DIMETHYLPROPANOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C(C)(C)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=1SC42H53NO13c11914131520(2)39(50)43261827(45)2930(34(26)48)36(5540(51)41(89)10)24(6)3731(29)38(49)42(115637)53171628(5212)21(3)35(5425(7)44)23(5)33(47)22(4)32(19)46h13192123283233354647H112H3(H4350)b141317162015t1921+22+2328323335+42m0s1
ZINC000254757566
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