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 furan-2-carboxylate
Catalog ID
STL558153
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccco2)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 C42H47NO14 MW 789.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H47NO14/c1-19-12-10-13-20(2)40(50)43-26-18-27(45)30-31(35(26)48)37(56-41(51)29-14-11-16-53-29)24(6)38-32(30)39(49)42(8,57-38)54-17-15-28(52-9)21(3)36(55-25(7)44)23(5)34(47)22(4)33(19)46/h10-19,21-23,28,33-34,36,46-47H,1-9H3,(H,43,50)/b12-10-,1InChIKey
GOWHVAPOFRSWDN-CIIIKOIASA-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)furan2carboxylate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylfuran2carboxylate
43915141
APHTHO(21B)FURAN5YLFURAN2CARBOXYLATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccco2)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=1SC42H47NO14c11912101320(2)40(50)43261827(45)3031(35(26)48)37(5641(51)291411165329)24(6)3832(30)39(49)42(85738)54171528(529)21(3)36(5525(7)44)23(5)34(47)22(4)33(19)46h10192123283334364647H19H3(H4350)b121017152013t1921+22+2328333436+42m0s1
ZINC000254758414
Check stock
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