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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-(2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)propanamide

Catalog ID
STL552628
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCNC(=O)Cn1ncc(c1)[N+](=O)[O-]

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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 C35H41N5O10 MW 691.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O10/c1-22-7-6-10-26(41)9-5-3-4-8-24-17-29(42)33(34(45)32(24)35(46)50-22)28(23-11-13-27(49-2)14-12-23)18-30(43)36-15-16-37-31(44)21-39-20-25(19-38-39)40(47)48/h4,8,11-14,17,19-20,22,28,42,45H,3,5-7,9-10,15-16,18,21H2,1-2H3,(H,36,43)(H,37,4
InChIKey
AHHFXMRWYOVTCM-SKMYYJBJSA-N
Synonyms

135640831
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2(((4nitro1Hpyrazol1yl)acetyl)amino)ethyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(2((2(4nitropyrazol1yl)acetyl)amino)ethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(2(2(4nitro1Hpyrazol1yl)acetamido)ethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCNC(=O)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC35H41N5O10c122761026(41)95348241729(42)33(34(45)32(24)35(46)5022)28(23111327(492)141223)1830(43)3615163731(44)21392025(193839)40(47)48h48111417192022284245H35791015161821H212H3(H3643)(H3744)b84+t2228?m0s1
ZINC001772493079
ZINC001772493080

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Available files

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