Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-8-[4-(diphenylmethyl)piperazin-1-yl]-5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone
Catalog ID
STL558120
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)O)C)O)C)O)C)/C)N1CCN(CC1)C(c1ccccc1)c1ccccc1
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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 C52H61N3O11 MW 904.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H61N3O11/c1-28-16-15-17-29(2)51(63)53-40-42(55-25-23-54(24-26-55)41(34-18-11-9-12-19-34)35-20-13-10-14-21-35)48(61)37-38(47(40)60)46(59)33(6)49-39(37)50(62)52(7,66-49)65-27-22-36(64-8)30(3)44(57)32(5)45(58)31(4)43(28)56/h9-22,27-28,30-32,36,41InChIKey
PAMSVEZLMFHGIB-LZNJAVGXSA-NSynonyms
(2S12Z14E16S17S18R19S20S21S22S23S24E)8(4(diphenylmethyl)piperazin1yl)5171921tetrahydroxy23methoxy241216182022heptamethyl27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan16911(2H)tetrone
(7~(S)9~(E)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))26(4benzhydrylpiperazin1yl)2131517tetrahydroxy11methoxy371214161822heptamethyl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaene6232729tetrone
16404400
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)O)C)O)C)O)C)C)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC52H61N3O11c12816151729(2)51(63)534042(55252354(242655)41(3418119121934)35201310142135)48(61)3738(47(40)60)46(59)33(6)4939(37)50(62)52(76649)65272236(648)30(3)44(57)32(5)45(58)31(4)43(28)56h92227283032364143455659H2326H218H3(H5363)b1615+2722+
MFCD04077697
ZINC000254403670
ZINC245226287
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.