Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-8-[(4-methoxyphenyl)amino]-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-5-yl 3-ch
Catalog ID
STL558174
SMILES COc1ccc(cc1)NC1=C2NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H]([C@@H]([C@@H]([C@H](/C=C\O[C@@]3(C(=O)c4c(C1=O)c(C2=O)c(OC(=O)c1ccc(c(c1)Cl)C)c(c4O3)C)C)OC)C)OC(=O)C)C)/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 C52H57ClN2O14 MW 969.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H57ClN2O14/c1-24-15-16-32(23-35(24)53)51(63)68-47-30(7)48-39-37-38(47)45(60)41(40(44(37)59)54-33-17-19-34(64-10)20-18-33)55-50(62)26(3)14-12-13-25(2)42(57)28(5)43(58)29(6)46(67-31(8)56)27(4)36(65-11)21-22-66-52(9,69-48)49(39)61/h12-23,25,27-29InChIKey
RZWLJXKSZSMJTM-LYGUBNDDSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy26(4methoxyanilino)371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)3chloro4met
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy8((4methoxyphenyl)amino)241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl3ch
43915165
COc1ccc(cc1)NC1=C2NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@@H)(C)(C@H)(O)(C@@H)((C@@H)((C@@H)((C@H)(C=CO(C@@)3(C(=O)c4c(C1=O)c(C2=O)c(OC(=O)c1ccc(c(c1)Cl)C)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC52H57ClN2O14c124151632(2335(24)53)51(63)684730(7)48393738(47)45(60)41(40(44(37)59)5433171934(6410)201833)5550(62)26(3)14121325(2)42(57)28(5)43(58)29(6)46(6731(8)56)27(4)36(6511)21226652(96948)49(39)61h122325272936424346545758H111H3(H5562)b13
ZINC000254507015
Check stock
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Check stock on Vitas-MAvailable files
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