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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-(pyrimidin-2-ylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552288
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCNc1ncccn1

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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 C36H44N4O9 MW 676.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O9/c1-22-10-8-13-25(41)12-7-5-6-11-23-18-27(42)32(33(44)31(23)35(45)49-22)26(24-19-28(46-2)34(48-4)29(20-24)47-3)21-30(43)37-16-17-40-36-38-14-9-15-39-36/h6,9,11,14-15,18-20,22,26,42,44H,5,7-8,10,12-13,16-17,21H2,1-4H3,(H,37,43)(H,38,39,4
InChIKey
LWXXFBDGIBNAQX-FICULBEYSA-N
Synonyms

135640547
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(pyrimidin2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(pyrimidin2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(pyrimidin2ylamino)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)NCCNc1ncccn1
InChI=1SC36H44N4O9c1221081325(41)1275611231827(42)32(33(44)31(23)35(45)4922)26(241928(462)34(484)29(2024)473)2130(43)371617403638149153936h69111415182022264244H578101213161721H214H3(H3743)(H383940)b116+t2226?m0s1
ZINC001547138453
ZINC001547138456

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Available files

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