Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(2,6-dimethylmorpholin-4-yl)-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
Catalog ID
STL558190
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)N1CC(C)OC(C1)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 C50H60N2O14 MW 913.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H60N2O14/c1-24-16-15-17-25(2)48(59)51-38-39(52-22-26(3)63-27(4)23-52)43(57)35-36(42(38)56)45(65-49(60)33-18-13-12-14-19-33)31(8)46-37(35)47(58)50(10,66-46)62-21-20-34(61-11)28(5)44(64-32(9)53)30(7)41(55)29(6)40(24)54/h12-21,24,26-30,34,40-41,4InChIKey
DYCBCGZSPKZVRY-VGDRIWDTSA-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))13acetyloxy26(26dimethylmorpholin4yl)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)benz
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)8(26dimethylmorpholin4yl)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl
43915183
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2)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)N1CC(C)OC(C1)C
InChI=1SC50H60N2O14c12416151725(2)48(59)513839(522226(3)6327(4)2352)43(57)3536(42(38)56)45(6549(60)33181312141933)31(8)4637(35)47(58)50(106646)62212034(6111)28(5)44(6432(9)53)30(7)41(55)29(6)40(24)54h1221242630344041445455H2223H2111H3(H5159)b16152120
ZINC000254439887
ZINC000254439891
Check stock
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Check stock on Vitas-MAvailable files
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