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-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2,4-dichloro

Catalog ID
STL558157
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(cc2Cl)Cl)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)N1CCCCC1

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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 C49H56Cl2N2O13 MW 951.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H56Cl2N2O13/c1-23-14-13-15-24(2)47(60)52-37-38(53-19-11-10-12-20-53)42(58)34-35(41(37)57)44(65-48(61)31-17-16-30(50)22-32(31)51)28(6)45-36(34)46(59)49(8,66-45)63-21-18-33(62-9)25(3)43(64-29(7)54)27(5)40(56)26(4)39(23)55/h13-18,21-23,25-27,33,3
InChIKey
VHSSPASCGUIYIN-RXHXEQHWSA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo26piperidin1yl830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)24dichlorobenzoa
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo8(piperidin1yl)1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl24dichloro
43915144
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccc(cc2Cl)Cl)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)N1CCCCC1
InChI=1SC49H56Cl2N2O13c12314131524(2)47(60)523738(53191110122053)42(58)3435(41(37)57)44(6548(61)31171630(50)2232(31)51)28(6)4536(34)46(59)49(86645)63211833(629)25(3)43(6429(7)54)27(5)40(56)26(4)39(23)55h131821232527333940435556H10121920H219H3(H5260)b
ZINC000254420486

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Available files

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