Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-[4-(furan-2-ylcarbonyl)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-21-yl a
Catalog ID
STL558131
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)C(=O)c1ccco1
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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 C46H55N3O14 MW 873.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H55N3O14/c1-22-12-10-13-23(2)44(57)47-34-35(48-16-18-49(19-17-48)45(58)30-14-11-20-60-30)40(55)31-32(39(34)54)38(53)27(6)42-33(31)43(56)46(8,63-42)61-21-15-29(59-9)24(3)41(62-28(7)50)26(5)37(52)25(4)36(22)51/h10-15,20-22,24-26,29,36-37,41,51-5InChIKey
BIBJKFZXVFHSLG-IGIOBVKOSA-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(furan2carbonyl)piperazin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)aceta
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(4(furan2ylcarbonyl)piperazin1yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21yla
16398508
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)C(=O)c1ccco1
InChI=1SC46H55N3O14c12212101323(2)44(57)473435(48161849(191748)45(58)301411206030)40(55)3132(39(34)54)38(53)27(6)4233(31)43(56)46(86342)61211529(599)24(3)41(6228(7)50)26(5)37(52)25(4)36(22)51h101520222426293637415153H1619H219H3(H4757)b1210+2115+2313t
MFCD03850052
ZINC000254751269
ZINC245225955
Check stock
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Check stock on Vitas-MAvailable files
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