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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551850
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCCCc1nnc2n1cccc2

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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 C41H50N4O9 MW 742.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H50N4O9/c1-26-14-13-17-29(46)16-8-5-7-15-27-22-31(47)38(39(49)37(27)41(50)54-26)30(28-23-32(51-2)40(53-4)33(24-28)52-3)25-36(48)42-20-11-6-9-18-34-43-44-35-19-10-12-21-45(34)35/h7,10,12,15,19,21-24,26,30,47,49H,5-6,8-9,11,13-14,16-18,20,25H2,1
InChIKey
ZOZWXTPOHIIPBF-IHYVTBKHSA-N
Synonyms

135640186
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(5((124)triazolo(43a)pyridin3yl)pentyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(5((124)triazolo(43a)pyridin3yl)pentyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCCCc1nnc2n1cccc2
InChI=1SC41H50N4O9c12614131729(46)1685715272231(47)38(39(49)37(27)41(50)5426)30(282332(512)40(534)33(2428)523)2536(48)4220116918344344351910122145(34)35h710121519212426304749H568911131416182025H214H3(H4248)b157+t2630?m0s1
N(5((124)triazolo(43a)pyridin3yl)pentyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139750
ZINC001547139751

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Available files

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