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N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)propanamide

Catalog ID
STL551695
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CCN(CC1)CC(=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 C33H38ClN3O10 MW 672.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38ClN3O10/c1-16-11-21(39)27(31(42)33(16)32(43)28-23(45-3)14-24(46-4)29(34)30(28)47-33)19(17-5-6-20(38)22(12-17)44-2)13-26(41)36-18-7-9-37(10-8-18)15-25(35)40/h5-6,12,14,16,18-19,38,42H,7-11,13,15H2,1-4H3,(H2,35,40)(H,36,41)/t16-,19?,33+/m1/s1
InChIKey
VFUBREWJLSIWAB-ZUOLDZMWSA-N
Synonyms

~(N)(1(2amino2oxoethyl)piperidin4yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132351877
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CCN(CC1)CC(=O)N
InChI=1SC33H38ClN3O10c1161121(39)27(31(42)33(16)32(43)2823(453)1424(464)29(34)30(28)4733)19(175620(38)22(1217)442)1326(41)36187937(10818)1525(35)40h5612141618193842H7111315H214H3(H23540)(H3641)t1619?33+m1s1
N(1(2amino2oxoethyl)piperidin4yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N(1(2amino2oxoethyl)piperidin4yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824596468
ZINC000824596469

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Available files

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