Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-[(3,4-dimethoxyphenyl)amino]-5,17,19-trihydroxy-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-21-yl acetate
Catalog ID
STL558139
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)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)Nc1ccc(c(c1)OC)OC
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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 C45H54N2O14 MW 846.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H54N2O14/c1-20-13-12-14-21(2)44(55)47-35-34(46-27-15-16-29(57-10)30(19-27)58-11)39(52)31-32(40(35)53)38(51)25(6)42-33(31)43(54)45(8,61-42)59-18-17-28(56-9)22(3)41(60-26(7)48)24(5)37(50)23(4)36(20)49/h12-20,22-24,28,36-37,41,46,49-51H,1-11H3,(HInChIKey
CZCYLMJWKDADHN-VRWKUANESA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))26(34dimethoxyanilino)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)8((34dimethoxyphenyl)amino)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16404051
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)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)Nc1ccc(c(c1)OC)OC
InChI=1SC45H54N2O14c12013121421(2)44(55)473534(4627151629(5710)30(1927)5811)39(52)3132(40(35)53)38(51)25(6)4233(31)43(54)45(86142)59181728(569)22(3)41(6026(7)48)24(5)37(50)23(4)36(20)49h1220222428363741464951H111H3(H4755)b1312+1817+2114t2022+23+24283
MFCD04077223
ZINC000254291128
ZINC245226009
Check stock
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Check stock on Vitas-MAvailable files
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