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-8-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-butoxybenz
Catalog ID
STL558158
SMILES CCCCOc1ccc(cc1)C(=O)Oc1c(C)c2O[C@]3(C(=O)c2c2c1C(=O)C(=C(C2=O)N1CCCCC1)NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H](/C=C\O3)OC)C)OC(=O)C)C)O)C)/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 C53H66N2O14 MW 955.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C53H66N2O14/c1-11-12-26-65-36-21-19-35(20-22-36)52(63)68-48-33(7)49-40-38-39(48)45(59)41(42(46(38)60)55-24-14-13-15-25-55)54-51(62)29(3)18-16-17-28(2)43(57)31(5)44(58)32(6)47(67-34(8)56)30(4)37(64-10)23-27-66-53(9,69-49)50(40)61/h16-23,27-28,30-3InChIKey
QVSLFTXMKPGAHH-NRCILJKPSA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26piperidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4butoxybenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4butoxybenz
43915145
CCCCOc1ccc(cc1)C(=O)Oc1c(C)c2O(C@)3(C(=O)c2c2c1C(=O)C(=C(C2=O)N1CCCCC1)NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@H)((C@@H)((C@@H)((C@@H)((C@@H)((C@H)(C=CO3)OC)C)OC(=O)C)C)O)C)C)C
InChI=1SC53H66N2O14c11112266536211935(202236)52(63)684833(7)49403839(48)45(59)41(42(46(38)60)55241413152555)5451(62)29(3)18161728(2)43(57)31(5)44(58)32(6)47(6734(8)56)30(4)37(6410)23276653(96949)50(40)61h162327283032374344475758H11152426H2110H3(H5462
ZINC000254630191
Check stock
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