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Vitas-M small molecule compound

N-(1-azabicyclo[2.2.2]oct-3-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]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552302
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CN2CCC1CC2

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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 C37H48N2O9 MW 664.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H48N2O9/c1-22-9-8-12-26(40)11-7-5-6-10-24-17-29(41)34(35(43)33(24)37(44)48-22)27(25-18-30(45-2)36(47-4)31(19-25)46-3)20-32(42)38-28-21-39-15-13-23(28)14-16-39/h6,10,17-19,22-23,27-28,41,43H,5,7-9,11-16,20-21H2,1-4H3,(H,38,42)/b10-6+/t22-,27?,2
InChIKey
XJJJDTIAPZNBTC-DLTQQKJSSA-N
Synonyms

~(N)(1azabicyclo(222)octan3yl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640559
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(quinuclidin3yl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NC1CN2CCC1CC2
InChI=1SC37H48N2O9c122981226(40)1175610241729(41)34(35(43)33(24)37(44)4822)27(251830(452)36(474)31(1925)463)2032(42)38282139151323(28)141639h6101719222327284143H57911162021H214H3(H3842)b106+t2227?28?m0s1
N(1azabicyclo(222)oct3yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139662
ZINC001547139665

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Available files

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