Vitas-M small molecule compound
(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(octylamino)-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
Catalog ID
STL558127
SMILES CCCCCCCCNC1=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(O)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 C45H62N2O12 MW 822.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H62N2O12/c1-11-12-13-14-15-16-21-46-34-35-40(53)32-31(39(34)52)33-42(28(7)38(32)51)59-45(9,43(33)54)57-22-20-30(56-10)25(4)41(58-29(8)48)27(6)37(50)26(5)36(49)23(2)18-17-19-24(3)44(55)47-35/h17-20,22-23,25-27,30,36-37,41,46,49-51H,11-16,21H2,1InChIKey
WRALEXHONIJMHH-PKEIDRQTSA-NSynonyms
((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))21517trihydroxy11methoxy371214161822heptamethyl26(octylamino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta1(28)249192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)51719trihydroxy23methoxy241216182022heptamethyl8(octylamino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16398841
CCCCCCCCNC1=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(O)c(c4O3)C)C)OC)C)OC(=O)C)C)C
InChI=1SC45H62N2O12c11112131415162146343540(53)3231(39(34)52)3342(28(7)38(32)51)5945(943(33)54)57222030(5610)25(4)41(5829(8)48)27(6)37(50)26(5)36(49)23(2)18171924(3)44(55)4735h17202223252730363741464951H111621H2110H3(H4755)b1817+2220+2419t2325+26+273
MFCD03852148
O)NAPHTHO(21B)FURAN21YLACETATE
ZINC000254365307
ZINC245226430
Check stock
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Check stock on Vitas-MAvailable files
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