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3-(1,3-benzodioxol-5-yl)-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-nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)propanamide

Catalog ID
STL561795
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)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 C35H39N5O11 MW 705.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O11/c1-21-6-5-9-25(41)8-4-2-3-7-23-14-27(42)33(34(45)32(23)35(46)51-21)26(22-10-11-28-29(15-22)50-20-49-28)16-30(43)36-12-13-37-31(44)19-39-18-24(17-38-39)40(47)48/h3,7,10-11,14-15,17-18,21,26,42,45H,2,4-6,8-9,12-13,16,19-20H2,1H3,(H,36,4
InChIKey
YRURHAMOFADIBP-JIKMMFEUSA-N
Synonyms

145705151
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(((4nitro1Hpyrazol1yl)acetyl)amino)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2((2(4nitropyrazol1yl)acetyl)amino)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(2(4nitro1Hpyrazol1yl)acetamido)ethyl)propanamide
InChI=1SC35H39N5O11c12165925(41)84237231427(42)33(34(45)32(23)35(46)5121)26(2210112829(1522)50204928)1630(43)3612133731(44)19391824(173839)40(47)48h3710111415171821264245H246891213161920H21H3(H3643)(H3744)b73+t2126?m0s1
MFCD32650859
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)Cn1ncc(c1)(N+)(=O)(O)
ZINC001848443195
ZINC001848443196

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Available files

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