Vitas-M small molecule compound
N~3~-{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)propanoyl}-N-(2-methoxyphenyl)-beta-alaninamide
Catalog ID
STL552367
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccccc1OC
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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 C38H44N2O9 MW 672.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N2O9/c1-24-10-9-13-27(41)12-6-4-5-11-26-22-31(42)36(37(45)35(26)38(46)49-24)29(25-16-18-28(47-2)19-17-25)23-34(44)39-21-20-33(43)40-30-14-7-8-15-32(30)48-3/h5,7-8,11,14-19,22,24,29,42,45H,4,6,9-10,12-13,20-21,23H2,1-3H3,(H,39,44)(H,40,43)/bInChIKey
QSJYQUIUKHYGHL-KLXJBUHISA-NSynonyms
135640614
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3(2methoxyanilino)3oxopropyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(3((2methoxyphenyl)amino)3oxopropyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1ccccc1OC
InChI=1SC38H44N2O9c1241091327(41)1264511262231(42)36(37(45)35(26)38(46)4924)29(25161828(472)191725)2334(44)39212033(43)403014781532(30)483h5781114192224294245H469101213202123H213H3(H3944)(H4043)b115+t2429?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)N(2methoxyphenyl)betaalaninamide
ZINC001772493024
ZINC001772493027
Check stock
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Check stock on Vitas-MAvailable files
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