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3-(1,3-benzodioxol-5-yl)-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]propanamide

Catalog ID
STL561512
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)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 C31H33BrN4O8 MW 669.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33BrN4O8/c1-17-6-5-9-20(37)8-4-2-3-7-19-12-22(38)28(29(40)27(19)30(41)44-17)21(18-10-11-23-24(13-18)43-16-42-23)14-26(39)33-15-25-34-31(32)36-35-25/h3,7,10-13,17,21,38,40H,2,4-6,8-9,14-16H2,1H3,(H,33,39)(H,34,35,36)/b7-3+/t17-,21?/m0/s1
InChIKey
PTHSULWSRJRFGV-UBYGUDHOSA-N
Synonyms

145704869
3(13benzodioxol5yl)N((3bromo1H124triazol5yl)methyl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanamide
3(13benzodioxol5yl)N((5bromo4H124triazol3yl)methyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanamide
3(benzo(d)(13)dioxol5yl)N((3bromo1H124triazol5yl)methyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)propanamide
InChI=1SC31H33BrN4O8c11765920(37)84237191222(38)28(29(40)27(19)30(41)4417)21(1810112324(1318)43164223)1426(39)3315253431(32)363525h37101317213840H246891416H21H3(H3339)(H343536)b73+t1721?m0s1
MFCD32650578
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1(nH)nc(n1)Br
ZINC001848442955
ZINC001848442956

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Available files

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