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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-sulfamoylphenyl)ethyl]propanamide

Catalog ID
STL561778
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)S(=O)(=O)N

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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 C36H40N2O10S MW 692.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N2O10S/c1-22-6-5-9-26(39)8-4-2-3-7-25-18-29(40)34(35(42)33(25)36(43)48-22)28(24-12-15-30-31(19-24)47-21-46-30)20-32(41)38-17-16-23-10-13-27(14-11-23)49(37,44)45/h3,7,10-15,18-19,22,28,40,42H,2,4-6,8-9,16-17,20-21H2,1H3,(H,38,41)(H2,37,44,45
InChIKey
ISEGSUTVNWVWSK-WRSAYVNHSA-N
Synonyms

145705134
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(4sulfamoylphenyl)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(4sulfamoylphenyl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(4sulfamoylphenethyl)propanamide
InChI=1SC36H40N2O10Sc12265926(39)84237251829(40)34(35(42)33(25)36(43)4822)28(2412153031(1924)47214630)2032(41)38171623101327(141123)49(3744)45h371015181922284042H2468916172021H21H3(H3841)(H2374445)b73+t2228?m0s1
MFCD32650843
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)S(=O)(=O)N
ZINC001848442766
ZINC001848442767

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Available files

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