Vitas-M small molecule compound

(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22S,23S,24E)-17,19,21-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylphenyl)amino]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-methylbenzoate

Catalog ID
STL528705
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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(cc1)C

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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 C50H56N2O12 MW 877.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H56N2O12/c1-24-14-18-32(19-15-24)49(60)63-45-31(8)46-37-35-36(45)44(57)39(38(43(35)56)51-33-20-16-25(2)17-21-33)52-48(59)27(4)13-11-12-26(3)40(53)29(6)42(55)30(7)41(54)28(5)34(61-10)22-23-62-50(9,64-46)47(37)58/h11-23,26,28-30,34,40-42,51,53-5
InChIKey
HMKFAVZUWUBUOL-YPRRYRPJSA-N
Synonyms

((7~(S)9~(E)11~(S)12~(S)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))131517trihydroxy11methoxy371214161822heptamethyl26(4methylanilino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzoate
(2S12Z14E16S17S18R19S20S21S22S23S24E)171921trihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylbenzoate
16405117
3)TRIENOIMINO)NAPHTHO(21B)FURAN5YL4METHYLBENZOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2)C)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(cc1)C
InChI=1SC50H56N2O12c124141832(191524)49(60)634531(8)46373536(45)44(57)39(38(43(35)56)5133201625(2)172133)5248(59)27(4)13111226(3)40(53)29(6)42(55)30(7)41(54)28(5)34(6110)22236250(96446)47(37)58h1123262830344042515355H110H3(H5259)b1211+2322+2713t2628+
MFCD05734935
ZINC000254815836
ZINC253387620

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Available files

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