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3-(1,3-benzodioxol-5-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]-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]propanamide

Catalog ID
STL552465
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1ccccn1)Cl

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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 C33H30ClN3O10 MW 664.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O10/c1-16-10-19(38)27(31(41)33(16)32(42)28-22(43-2)13-23(44-3)29(34)30(28)47-33)18(17-7-8-20-21(11-17)46-15-45-20)12-25(39)36-14-26(40)37-24-6-4-5-9-35-24/h4-9,11,13,16,18,41H,10,12,14-15H2,1-3H3,(H,36,39)(H,35,37,40)/t16-,18?,33+/m1/s1
InChIKey
LXDITFPRTQMXSZ-GPRWSHGWSA-N
Synonyms

135640698
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2oxo2(pyridin2ylamino)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2oxo2(pyridin2ylamino)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2oxo2(pyridin2ylamino)ethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCC(=O)Nc1ccccn1)Cl
InChI=1SC33H30ClN3O10c1161019(38)27(31(41)33(16)32(42)2822(432)1323(443)29(34)30(28)4733)18(17782021(1117)46154520)1225(39)361426(40)372464593524h491113161841H10121415H213H3(H3639)(H353740)t1618?33+m1s1
ZINC001547205817
ZINC001547205818

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Available files

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