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N-[2-(1H-benzimidazol-2-yl)ethyl]-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]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552355
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1nc2c([nH]1)cccc2

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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 C39H45N3O9 MW 699.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45N3O9/c1-23-11-10-14-26(43)13-7-5-6-12-24-19-30(44)36(37(46)35(24)39(47)51-23)27(25-20-31(48-2)38(50-4)32(21-25)49-3)22-34(45)40-18-17-33-41-28-15-8-9-16-29(28)42-33/h6,8-9,12,15-16,19-21,23,27,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,40,4
InChIKey
FUWJFEXLWKRRDE-AMONCSBESA-N
Synonyms

~(N)(2(1~(H)benzimidazol2yl)ethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640604
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC39H45N3O9c12311101426(43)1375612241930(44)36(37(46)35(24)39(47)5123)27(252031(482)38(504)32(2125)493)2234(45)40181733412815891629(28)4233h689121516192123274446H5710111314171822H214H3(H4045)(H4142)b126+t2327?m0s1
N(2(1Hbenzimidazol2yl)ethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(2(1Hbenzo(d)imidazol2yl)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138718
ZINC001547138720

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Available files

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