Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-8-[(3,4-dimethoxyphenyl)amino]-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
STL558121
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)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 C43H52N2O13 MW 804.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H52N2O13/c1-19-12-11-13-20(2)42(53)45-33-32(44-25-14-15-27(55-9)28(18-25)56-10)38(50)29-30(39(33)51)37(49)24(6)40-31(29)41(52)43(7,58-40)57-17-16-26(54-8)21(3)35(47)23(5)36(48)22(4)34(19)46/h11-19,21-23,26,34-36,44,46-49H,1-10H3,(H,45,53)/b12-InChIKey
LJZPWGUWTFQXJR-LNZGFJIXSA-NSynonyms
(2S12Z14E16S17S18R19S20S21S22S23S24E)8((34dimethoxyphenyl)amino)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(34dimethoxyanilino)2131517tetrahydroxy11methoxy371214161822heptamethyl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaene6232729tetrone
17352737
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)Nc1ccc(c(c1)OC)OC
InChI=1SC43H52N2O13c11912111320(2)42(53)453332(4425141527(559)28(1825)5610)38(50)2930(39(33)51)37(49)24(6)4031(29)41(52)43(75840)57171626(548)21(3)35(47)23(5)36(48)22(4)34(19)46h11192123263436444649H110H3(H4553)b1211+1716+2013t1921+22+23+263435+3643m
MFCD04074476
ZINC000254569089
ZINC245226228
Check stock
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