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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-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552372
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1scc(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 C36H44N2O9S MW 680.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O9S/c1-21-20-48-31(38-21)14-15-37-30(41)19-26(24-17-28(44-3)35(46-5)29(18-24)45-4)33-27(40)16-23-11-7-6-8-12-25(39)13-9-10-22(2)47-36(43)32(23)34(33)42/h7,11,16-18,20,22,26,40,42H,6,8-10,12-15,19H2,1-5H3,(H,37,41)/b11-7+/t22-,26?/m0/s1
InChIKey
SLDMLCCDEUNRON-CTTFGXBJSA-N
Synonyms

135640618
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(4methyl13thiazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(4methyl13thiazol2yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(4methylthiazol2yl)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)NCCc1scc(n1)C
InChI=1SC36H44N2O9Sc121204831(3821)14153730(41)1926(241728(443)35(465)29(1824)454)3327(40)1623117681225(39)1391022(2)4736(43)32(23)34(33)42h71116182022264042H6810121519H215H3(H3741)b117+t2226?m0s1
ZINC001547139537
ZINC001547139538

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Available files

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