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 2-chlorobenzoate
Catalog ID
STL528659
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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 C49H53ClN2O12 MW 897.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H53ClN2O12/c1-23-17-19-30(20-18-23)51-37-38-43(57)35-34(42(37)56)36-45(29(7)44(35)63-48(60)31-15-10-11-16-32(31)50)64-49(8,46(36)58)62-22-21-33(61-9)26(4)40(54)28(6)41(55)27(5)39(53)24(2)13-12-14-25(3)47(59)52-38/h10-22,24,26-28,33,39-41,51,53InChIKey
WWZDOUGJVPBIAE-PACQFBCZSA-NSynonyms
((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)2chlorobenzoate
(2S12Z14E16S17S18R19S20S21S22S23S24E)171921trihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2chlorobenzoate
16404277
3)TRIENOIMINO)NAPHTHO(21B)FURAN5YL2CHLOROBENZOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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=1SC49H53ClN2O12c123171930(201823)51373843(57)3534(42(37)56)3645(29(7)44(35)6348(60)311510111632(31)50)6449(846(36)58)62222133(619)26(4)40(54)28(6)41(55)27(5)39(53)24(2)13121425(3)47(59)5238h1022242628333941515355H19H3(H5259)b1312+2221+2514t2426
MFCD05728052
ZINC000254590214
ZINC253387693
Check stock
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