Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-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
Catalog ID
STL558130
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)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C49H59N3O14 MW 914.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H59N3O14/c1-24-11-10-12-25(2)48(60)50-38-39(52-18-16-51(17-19-52)22-31-13-14-33-34(21-31)63-23-62-33)44(58)35-36(43(38)57)42(56)29(6)46-37(35)47(59)49(8,66-46)64-20-15-32(61-9)26(3)45(65-30(7)53)28(5)41(55)27(4)40(24)54/h10-15,20-21,24,26-28,3InChIKey
LLEYLODYXBLXMT-LTJBXAGUSA-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(4(13benzodioxol5ylmethyl)piperazin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(4(13benzodioxol5ylmethyl)piperazin1yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan
17352740
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)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC49H59N3O14c12411101225(2)48(60)503839(52181651(171952)223113143334(2131)63236233)44(58)3536(43(38)57)42(56)29(6)4637(35)47(59)49(86646)64201532(619)26(3)45(6530(7)53)28(5)41(55)27(4)40(24)54h10152021242628324041455456H16192223H219H3(H5060)b1
MFCD04073789
ZINC000254874200
ZINC245226229
Check stock
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Check stock on Vitas-MAvailable files
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