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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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-beta-alaninamide

Catalog ID
STL549574
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCC(=O)NCc1onc(n1)C)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 C23H25ClN4O7 MW 504.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O7/c1-11-7-13(25-6-5-17(30)26-10-18-27-12(2)28-35-18)8-16(29)23(11)22(31)19-14(32-3)9-15(33-4)20(24)21(19)34-23/h8-9,11,25H,5-7,10H2,1-4H3,(H,26,30)/t11-,23+/m1/s1
InChIKey
CYKAGNWWRPACFZ-BGJPBQGDSA-N
Synonyms

127253135
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)N((3methyl124oxadiazol5yl)methyl)propanamide
3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)((3methyl124oxadiazol5yl)methyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCC(=O)NCc1onc(n1)C)Cl
InChI=1SC23H25ClN4O7c111713(256517(30)2610182712(2)283518)816(29)23(11)22(31)1914(323)915(334)20(24)21(19)3423h891125H5710H214H3(H2630)t1123+m1s1
N~3~((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)N((3methyl124oxadiazol5yl)methyl)betaalaninamide
N3((2S6R)7CHLORO46DIMETHOXY6METHYL23DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(3)EN)4YL)N((3METHYL124OXADIAZOL5YL)METHYL)BETAALANINAMIDE
ZINC000604404520
ZINC604404520

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Available files

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