Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-[4-(pyridin-2-yl)piperazin-1-yl]-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Catalog ID
STL558134
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)c1ccccn1
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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 C46H56N4O12 MW 856.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H56N4O12/c1-23-13-12-14-24(2)45(58)48-35-36(50-20-18-49(19-21-50)31-15-10-11-17-47-31)41(56)32-33(40(35)55)39(54)28(6)43-34(32)44(57)46(8,62-43)60-22-16-30(59-9)25(3)42(61-29(7)51)27(5)38(53)26(4)37(23)52/h10-17,22-23,25-27,30,37-38,42,52-54H,InChIKey
OTBYDWMNPJJQRG-KLDNQBIDSA-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))21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26(4pyridin2ylpiperazin1yl)830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(4(pyridin2yl)piperazin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16398608
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)c1ccccn1
InChI=1SC46H56N4O12c12313121424(2)45(58)483536(50201849(192150)31151011174731)41(56)3233(40(35)55)39(54)28(6)4334(32)44(57)46(86243)60221630(599)25(3)42(6129(7)51)27(5)38(53)26(4)37(23)52h101722232527303738425254H1821H219H3(H4858)b1312+2216+2414t2325
MFCD03850640
ZINC000254716272
ZINC245226285
Check stock
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Check stock on Vitas-MAvailable files
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