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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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551635
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)Nc1nccs1

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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 C35H41N3O10S MW 695.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O10S/c1-20-9-8-12-23(39)11-7-5-6-10-21-15-25(40)31(32(43)30(21)34(44)48-20)24(22-16-26(45-2)33(47-4)27(17-22)46-3)18-28(41)37-19-29(42)38-35-36-13-14-49-35/h6,10,13-17,20,24,40,43H,5,7-9,11-12,18-19H2,1-4H3,(H,37,41)(H,36,38,42)/b10-6+/t2
InChIKey
DIILOUNDXVTOTP-KUJBISIZSA-N
Synonyms

135639999
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2oxo2(13thiazol2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2oxo2(13thiazol2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2oxo2(thiazol2ylamino)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)NCC(=O)Nc1nccs1
InChI=1SC35H41N3O10Sc120981223(39)1175610211525(40)31(32(43)30(21)34(44)4820)24(221626(452)33(474)27(1722)463)1828(41)371929(42)38353613144935h610131720244043H57911121819H214H3(H3741)(H363842)b106+t2024?m0s1
ZINC001547138635
ZINC001547138639

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Available files

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