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N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-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
STL552273
SMILES CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O

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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 C37H38ClN3O9S MW 736.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38ClN3O9S/c1-18-14-25(43)30(34(45)37(18)35(46)31-27(48-3)17-28(49-4)32(38)33(31)50-37)20(19-10-11-24(42)26(15-19)47-2)16-29(44)39-23(12-13-51-5)36-40-21-8-6-7-9-22(21)41-36/h6-11,15,17-18,20,23,42,45H,12-14,16H2,1-5H3,(H,39,44)(H,40,41)/t18-,
InChIKey
VEWJSSIFHDOKPD-QITBFUJTSA-N
Synonyms

~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylsulfanylpropyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352164
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
InChI=1SC37H38ClN3O9Sc1181425(43)30(34(45)37(18)35(46)3127(483)1728(494)32(38)33(31)5037)20(19101124(42)26(1519)472)1629(44)3923(1213515)364021867922(21)4136h61115171820234245H121416H215H3(H3944)(H4041)t1820?23+37+m1s1
N((1S)1(1HBENZIMIDAZOL2YL)3(METHYLSULFANYL)PROPYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHE
N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824912933
ZINC000824912934

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Available files

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