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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]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL561607
SMILES COc1cc(cc(c1OC)OC)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 C33H34ClN3O11S MW 716.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34ClN3O11S/c1-15-9-18(38)25(30(41)33(15)31(42)26-19(43-2)13-20(44-3)27(34)29(26)48-33)17(16-10-21(45-4)28(47-6)22(11-16)46-5)12-23(39)36-14-24(40)37-32-35-7-8-49-32/h7-8,10-11,13,15,17,41H,9,12,14H2,1-6H3,(H,36,39)(H,35,37,40)/t15-,17?,33+/m1
InChIKey
UNAFFQQVOMIAJV-GKEYDMBISA-N
Synonyms

145704964
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2oxo2(thiazol2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2oxo2(13thiazol2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2oxo2(13thiazol2ylamino)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)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=1SC33H34ClN3O11Sc115918(38)25(30(41)33(15)31(42)2619(432)1320(443)27(34)29(26)4833)17(161021(454)28(476)22(1116)465)1223(39)361424(40)373235784932h78101113151741H91214H216H3(H3639)(H353740)t1517?33+m1s1
MFCD32650672
ZINC001848443074
ZINC001848443075

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Available files

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