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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-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551690
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1onc(n1)c1ccccn1

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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 C39H44N4O10 MW 728.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44N4O10/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-29(45)35(36(47)34(24)39(48)52-23)27(25-20-30(49-2)37(51-4)31(21-25)50-3)22-32(46)41-18-16-33-42-38(43-53-33)28-15-8-9-17-40-28/h6,8-9,12,15,17,19-21,23,27,45,47H,5,7,10-11,13-14,16,18,22H2,1-4H3,
InChIKey
IMXJEAIXTTVBLN-AMONCSBESA-N
Synonyms

135640048
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(3pyridin2yl124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1onc(n1)c1ccccn1
InChI=1SC39H44N4O10c12311101426(44)1375612241929(45)35(36(47)34(24)39(48)5223)27(252030(492)37(514)31(2125)503)2232(46)411816334238(435333)281589174028h689121517192123274547H5710111314161822H214H3(H4146)b126+t2327?m0s1
ZINC001547138349
ZINC001547138350

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Available files

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