Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-[4-(2-chloro-4-nitrophenyl)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-
Catalog ID
STL558136
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)c1ccc(cc1Cl)[N+](=O)[O-]
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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 C47H55ClN4O14 MW 935.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H55ClN4O14/c1-22-11-10-12-23(2)46(60)49-36-37(51-18-16-50(17-19-51)31-14-13-29(52(61)62)21-30(31)48)42(58)33-34(41(36)57)40(56)27(6)44-35(33)45(59)47(8,66-44)64-20-15-32(63-9)24(3)43(65-28(7)53)26(5)39(55)25(4)38(22)54/h10-15,20-22,24-26,32,38InChIKey
PTTHZFHYUGPBTR-IPHUKPHRSA-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(2chloro4nitrophenyl)piperazin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(4(2chloro4nitrophenyl)piperazin1yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21
16398591
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)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC47H55ClN4O14c12211101223(2)46(60)493637(51181650(171951)31141329(52(61)62)2130(31)48)42(58)3334(41(36)57)40(56)27(6)4435(33)45(59)47(86644)64201532(639)24(3)43(6528(7)53)26(5)39(55)25(4)38(22)54h101520222426323839435456H1619H219H3(H4960)b111
MFCD03850519
ZINC000254387237
ZINC245226299
Check stock
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