Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(pyrrolidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 4-methylben
Catalog ID
STL558185
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)OC(=O)C)C)O)C)O)C)/C)N1CCCC1
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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 C49H58N2O13 MW 883.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H58N2O13/c1-24-16-18-32(19-17-24)48(59)63-44-30(7)45-36-34-35(44)41(55)37(38(42(34)56)51-21-11-12-22-51)50-47(58)26(3)15-13-14-25(2)39(53)28(5)40(54)29(6)43(62-31(8)52)27(4)33(60-10)20-23-61-49(9,64-45)46(36)57/h13-20,23,25,27-29,33,39-40,43,5InChIKey
CWHOTIZZRMFBCH-PSWCAVRISA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26pyrrolidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(pyrrolidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylben
43915178
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)OC(=O)C)C)O)C)O)C)C)N1CCCC1
InChI=1SC49H58N2O13c124161832(191724)48(59)634430(7)45363435(44)41(55)37(38(42(34)56)512111122251)5047(58)26(3)15131425(2)39(53)28(5)40(54)29(6)43(6231(8)52)27(4)33(6010)20236149(96445)46(36)57h132023252729333940435354H11122122H2110H3(H5058)b14132320
ZINC000254904431
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