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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]-3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)benzyl]propanamide

Catalog ID
STL552101
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1cccc(c1)c1scc(n1)C

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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 C39H42N2O7S MW 682.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H42N2O7S/c1-24-23-49-38(41-24)29-12-8-10-26(19-29)22-40-34(44)21-32(27-15-17-31(47-3)18-16-27)36-33(43)20-28-11-5-4-6-13-30(42)14-7-9-25(2)48-39(46)35(28)37(36)45/h5,8,10-12,15-20,23,25,32,43,45H,4,6-7,9,13-14,21-22H2,1-3H3,(H,40,44)/b11-5+/t2
InChIKey
PJRMNXGJWKIOKQ-MSOOTARASA-N
Synonyms

135640395
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(3(4methyl13thiazol2yl)benzyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)((3(4methyl13thiazol2yl)phenyl)methyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(3(4methylthiazol2yl)benzyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1cccc(c1)c1scc(n1)C
InChI=1SC39H42N2O7Sc124234938(4124)291281026(1929)224034(44)2132(27151731(473)181627)3633(43)2028115461330(42)147925(2)4839(46)35(28)37(36)45h58101215202325324345H467913142122H213H3(H4044)b115+t2532?m0s1
ZINC001772493012
ZINC001772493014

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Available files

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