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N-[(5-bromo-4H-1,2,4-triazol-3-yl)methyl]-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
STL561628
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1nnc([nH]1)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 C31H35BrN4O7 MW 655.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35BrN4O7/c1-18-7-6-10-21(37)9-5-3-4-8-20-15-24(38)28(29(40)27(20)30(41)43-18)23(19-11-13-22(42-2)14-12-19)16-26(39)33-17-25-34-31(32)36-35-25/h4,8,11-15,18,23,38,40H,3,5-7,9-10,16-17H2,1-2H3,(H,33,39)(H,34,35,36)/b8-4+/t18-,23?/m0/s1
InChIKey
QZMFKLRFBDCAJQ-AWFFLXMPSA-N
Synonyms

145704985
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1(nH)nc(n1)Br
InChI=1SC31H35BrN4O7c118761021(37)95348201524(38)28(29(40)27(20)30(41)4318)23(19111322(422)141219)1626(39)3317253431(32)363525h48111518233840H3579101617H212H3(H3339)(H343536)b84+t1823?m0s1
MFCD32650693
N((3bromo1H124triazol5yl)methyl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
N((3bromo1H124triazol5yl)methyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N((5bromo4H124triazol3yl)methyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
ZINC001848442986
ZINC001848442987

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Available files

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