Vitas-M small molecule compound

(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(dimethylamino)-17,19-dihydroxy-23-methoxy-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 4-methylbenzo

Catalog ID
STL558188
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)N(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 C47H56N2O13 MW 856.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H56N2O13/c1-22-16-18-30(19-17-22)46(57)61-42-28(7)43-34-32-33(42)39(53)35(36(40(32)54)49(10)11)48-45(56)24(3)15-13-14-23(2)37(51)26(5)38(52)27(6)41(60-29(8)50)25(4)31(58-12)20-21-59-47(9,62-43)44(34)55/h13-21,23,25-27,31,37-38,41,51-52H,1-12H3
InChIKey
CHQPDRGLGJNQTJ-UXXDZSBPSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy26(dimethylamino)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)4methylbenzoa
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)8(dimethylamino)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl4methylbenzo
113)TRIENOIMINO)NAPHTHO(21B)FURAN5YL4METHYLBENZO
43915181
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)N(C)C
InChI=1SC47H56N2O13c122161830(191722)46(57)614228(7)43343233(42)39(53)35(36(40(32)54)49(10)11)4845(56)24(3)15131423(2)37(51)26(5)38(52)27(6)41(6029(8)50)25(4)31(5812)20215947(96243)44(34)55h1321232527313738415152H112H3(H4856)b141321202415t2325+26+273
ZINC000254701497

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Available files

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