Vitas-M small molecule compound

(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-8-{4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]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-(epoxypenta

Catalog ID
STL558137
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)CCN1C(=O)C2C(C1=O)C1CC2C=C1

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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 C52H64N4O14 MW 969.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H64N4O14/c1-24-11-10-12-25(2)49(64)53-39-40(55-19-16-54(17-20-55)18-21-56-50(65)34-31-13-14-32(23-31)35(34)51(56)66)45(62)36-37(44(39)61)43(60)29(6)47-38(36)48(63)52(8,70-47)68-22-15-33(67-9)26(3)46(69-30(7)57)28(5)42(59)27(4)41(24)58/h10-15,2
InChIKey
CIRCEQJUUHYFJC-XYUIPJEFSA-N
Synonyms

((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(2(35dioxo4azatricyclo(5210^(26))dec8en4yl)ethyl)piperazin1yl)21517trihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triacon
(2S12Z14E16S17S18R19S20S21S22R23S24E)8(4(2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)ethyl)piperazin1yl)51719trihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypenta
16398897
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)CCN1C(=O)C2C(C1=O)C1CC2C=C1
InChI=1SC52H64N4O14c12411101225(2)49(64)533940(55191654(172055)18215650(65)3431131432(2331)35(34)51(56)66)45(62)3637(44(39)61)43(60)29(6)4738(36)48(63)52(87047)68221533(679)26(3)46(6930(7)57)28(5)42(59)27(4)41(24)58h10152224262831354142465860H162123H
MFCD03852605
ZINC000254616554
ZINC000254616556

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Available files

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