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N~3~-[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-(2,3,4-trifluorophenyl)-beta-alaninamide

Catalog ID
STL551569
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCC(=O)Nc1ccc(c(c1F)F)F)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 C25H22ClF3N2O6 MW 538.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClF3N2O6/c1-11-8-12(30-7-6-18(33)31-14-5-4-13(27)21(28)22(14)29)9-17(32)25(11)24(34)19-15(35-2)10-16(36-3)20(26)23(19)37-25/h4-5,9-11,30H,6-8H2,1-3H3,(H,31,33)/t11-,25+/m1/s1
InChIKey
ACWRFOCKQYFGED-NDHGSNPTSA-N
Synonyms

127252722
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N(234trifluorophenyl)propanamide
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)(234trifluorophenyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCC(=O)Nc1ccc(c(c1F)F)F)Cl
InChI=1SC25H22ClF3N2O6c111812(307618(33)31145413(27)21(28)22(14)29)917(32)25(11)24(34)1915(352)1016(363)20(26)23(19)3725h4591130H68H213H3(H3133)t1125+m1s1
N~3~((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)N(234trifluorophenyl)betaalaninamide
N3((2S6R)7CHLORO46DIMETHOXY6METHYL23DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(3)EN)4YL)N(234TRIFLUOROPHENYL)BETAALANINAMIDE
ZINC000604404044
ZINC604404044

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Available files

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