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(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione

Catalog ID
STL551603
SMILES CSCC[C@@H](c1nc2c(n1C)cccc2)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC

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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 C28H30ClN3O5S MW 556.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClN3O5S/c1-15-12-16(30-18(10-11-38-5)27-31-17-8-6-7-9-19(17)32(27)2)13-22(33)28(15)26(34)23-20(35-3)14-21(36-4)24(29)25(23)37-28/h6-9,13-15,18,30H,10-12H2,1-5H3/t15-,18+,28+/m1/s1
InChIKey
LSYDKWRDEUHSDO-AQFFXNRSSA-N
Synonyms

(1S6R)7chloro46dimethoxy6methyl4(((S)1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(((1~(S))1(1methylbenzimidazol2yl)3methylsulfanylpropyl)amino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(((1S)1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252544
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC28H30ClN3O5Sc1151216(3018(1011385)273117867919(17)32(27)2)1322(33)28(15)26(34)2320(353)1421(364)24(29)25(23)3728h6913151830H1012H215H3t1518+28+m1s1
ZINC000604404920
ZINC604404920

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Available files

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