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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-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]propanamide

Catalog ID
STL562068
SMILES COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)C

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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 C41H45N3O11 MW 755.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H45N3O11/c1-23-9-8-12-27(45)11-7-5-6-10-26-17-31(46)38(39(48)37(26)41(50)55-23)28(25-13-14-32-35(18-25)54-22-53-32)20-36(47)42-15-16-44-24(2)43-30-21-34(52-4)33(51-3)19-29(30)40(44)49/h6,10,13-14,17-19,21,23,28,46,48H,5,7-9,11-12,15-16,20,22H2
InChIKey
BTGUIBHVQMQYTB-PQHCHRPISA-N
Synonyms

145705419
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(67dimethoxy2methyl4oxoquinazolin3yl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)propanamide
COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2)C
InChI=1SC41H45N3O11c123981227(45)1175610261731(46)38(39(48)37(26)41(50)5523)28(2513143235(1825)54225332)2036(47)4215164424(2)43302134(524)33(513)1929(30)40(44)49h610131417192123284648H579111215162022H214H3(H4247)b106+t2328?m0s1
MFCD32651122
ZINC001848443267
ZINC001848443268

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Available files

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