Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(2,6-dimethylmorpholin-4-yl)-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
Catalog ID
STL558191
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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)N1CC(C)OC(C1)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 C50H59ClN2O14 MW 947.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H59ClN2O14/c1-23-15-14-16-24(2)48(60)52-38-39(53-21-25(3)64-26(4)22-53)43(58)35-36(42(38)57)45(66-49(61)32-17-12-13-18-33(32)51)30(8)46-37(35)47(59)50(10,67-46)63-20-19-34(62-11)27(5)44(65-31(9)54)29(7)41(56)28(6)40(23)55/h12-20,23,25-29,34,40InChIKey
VCHQZBPFXNPFJM-SZDPXHOQSA-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))13acetyloxy26(26dimethylmorpholin4yl)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2chl
43915185
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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)N1CC(C)OC(C1)C
InChI=1SC50H59ClN2O14c12315141624(2)48(60)523839(532125(3)6426(4)2253)43(58)3536(42(38)57)45(6649(61)321712131833(32)51)30(8)4637(35)47(59)50(106746)63201934(6211)27(5)44(6531(9)54)29(7)41(56)28(6)40(23)55h1220232529344041445556H2122H2111H3(H5260)b15
ZINC001286671830
ZINC001286671832
Check stock
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