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N-(2-{[3-bromo-1-(methoxymethyl)-1H-1,2,4-triazol-5-yl]amino}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-(4-methoxyphenyl)propanamide

Catalog ID
STL561550
SMILES COCn1nc(nc1NCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc(cc1)OC)Br

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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 C34H42BrN5O8 MW 728.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42BrN5O8/c1-21-8-7-11-24(41)10-6-4-5-9-23-18-27(42)30(31(44)29(23)32(45)48-21)26(22-12-14-25(47-3)15-13-22)19-28(43)36-16-17-37-34-38-33(35)39-40(34)20-46-2/h5,9,12-15,18,21,26,42,44H,4,6-8,10-11,16-17,19-20H2,1-3H3,(H,36,43)(H,37,38,39)/b9-5
InChIKey
VVJCKEQSQUKCLI-NHTXBRMWSA-N
Synonyms

145704907
COCn1nc(nc1NCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc(cc1)OC)Br
InChI=1SC34H42BrN5O8c121871124(41)106459231827(42)30(31(44)29(23)32(45)4821)26(22121425(473)151322)1928(43)36161737343833(35)3940(34)20462h5912151821264244H468101116171920H213H3(H3643)(H373839)b95+t2126?m0s1
MFCD32650615
N(2((3bromo1(methoxymethyl)1H124triazol5yl)amino)ethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N(2((3bromo1(methoxymethyl)1H124triazol5yl)amino)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N(2((5bromo2(methoxymethyl)124triazol3yl)amino)ethyl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
ZINC001848443111
ZINC001848443112

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Available files

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