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 2,2-
Catalog ID
STL558173
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)C(C)(C)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 C49H60N2O14 MW 901.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H60N2O14/c1-23-15-14-16-24(2)46(58)51-37-36(50-30-17-19-31(60-12)20-18-30)40(55)33-34(41(37)56)43(64-47(59)48(8,9)10)28(6)44-35(33)45(57)49(11,65-44)62-22-21-32(61-13)25(3)42(63-29(7)52)27(5)39(54)26(4)38(23)53/h14-23,25-27,32,38-39,42,50,53-5InChIKey
DINQLGRRIYZCPG-IFPGHPSASA-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)22dimethylp
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy8((4methoxyphenyl)amino)241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl22
43915164
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)C(C)(C)C)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC49H60N2O14c12315141624(2)46(58)513736(5030171931(6012)201830)40(55)3334(41(37)56)43(6447(59)48(89)10)28(6)4435(33)45(57)49(116544)62222132(6113)25(3)42(6329(7)52)27(5)39(54)26(4)38(23)53h1423252732383942505354H113H3(H5158)b151422212416t2325+
ZINC000254606758
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