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-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl cyclohexanecarboxylate
Catalog ID
STL558194
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C2CCCCC2)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
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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 C44H55NO13 MW 805.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H55NO13/c1-21-14-13-15-22(2)42(52)45-29-20-30(47)32-33(37(29)50)39(57-43(53)28-16-11-10-12-17-28)26(6)40-34(32)41(51)44(8,58-40)55-19-18-31(54-9)23(3)38(56-27(7)46)25(5)36(49)24(4)35(21)48/h13-15,18-21,23-25,28,31,35-36,38,48-49H,10-12,16-17H2InChIKey
WDQNDXPFEWOQRR-STFZJLCMSA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)cyclohexanecarboxylate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylcyclohexanecarboxylate
43915191
APHTHO(21B)FURAN5YLCYCLOHEXANECARBOXYLATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)C2CCCCC2)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
InChI=1SC44H55NO13c12114131522(2)42(52)45292030(47)3233(37(29)50)39(5743(53)28161110121728)26(6)4034(32)41(51)44(85840)55191831(549)23(3)38(5627(7)46)25(5)36(49)24(4)35(21)48h13151821232528313536384849H10121617H219H3(H4552)b141319182215t2123+24+25313
ZINC000254812747
Check stock
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