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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-(methylsulfanyl)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

Catalog ID
STL552103
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1nccs1

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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 C31H30ClN3O8S2 MW 672.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O8S2/c1-15-11-19(36)24(28(39)31(15)29(40)25-20(41-2)13-21(42-3)26(32)27(25)43-31)18(16-5-7-17(44-4)8-6-16)12-22(37)34-14-23(38)35-30-33-9-10-45-30/h5-10,13,15,18,39H,11-12,14H2,1-4H3,(H,34,37)(H,33,35,38)/t15-,18?,31+/m1/s1
InChIKey
CUWONHODDITQQN-CSMPJTTPSA-N
Synonyms

135640397
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2oxo2(thiazol2ylamino)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2oxo2(13thiazol2ylamino)ethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2oxo2(13thiazol2ylamino)ethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCC(=O)Nc1nccs1
InChI=1SC31H30ClN3O8S2c1151119(36)24(28(39)31(15)29(40)2520(412)1321(423)26(32)27(25)4331)18(165717(444)8616)1222(37)341423(38)3530339104530h51013151839H111214H214H3(H3437)(H333538)t1518?31+m1s1
ZINC001547138581
ZINC001547138582

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Available files

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