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-8-[(4-methylphenyl)amino]-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl benzo
Catalog ID
STL558177
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)Nc1ccc(cc1)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 C51H56N2O13 MW 905.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H56N2O13/c1-25-19-21-34(22-20-25)52-39-40-44(58)37-36(43(39)57)38-47(31(7)46(37)65-50(61)33-17-12-11-13-18-33)66-51(9,48(38)59)63-24-23-35(62-10)28(4)45(64-32(8)54)30(6)42(56)29(5)41(55)26(2)15-14-16-27(3)49(60)53-40/h11-24,26,28-30,35,41-42,4InChIKey
IFQBFJWROPMMBL-PESBVUIMSA-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))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl26(4methylanilino)6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)benzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl8((4methylphenyl)amino)16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5ylbenzo
43915169
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)Nc1ccc(cc1)C
InChI=1SC51H56N2O13c125192134(222025)52394044(58)3736(43(39)57)3847(31(7)46(37)6550(61)33171211131833)6651(948(38)59)63242335(6210)28(4)45(6432(8)54)30(6)42(56)29(5)41(55)26(2)15141627(3)49(60)5340h112426283035414245525556H110H3(H5360)b151424232716t2
ZINC000254479000
Check stock
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