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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-hydroxy-3-methoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide

Catalog ID
STL551765
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncccn1

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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 C32H33ClN4O9 MW 653.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClN4O9/c1-16-12-20(39)25(29(41)32(16)30(42)26-22(44-3)15-23(45-4)27(33)28(26)46-32)18(17-6-7-19(38)21(13-17)43-2)14-24(40)34-10-11-37-31-35-8-5-9-36-31/h5-9,13,15-16,18,38,41H,10-12,14H2,1-4H3,(H,34,40)(H,35,36,37)/t16-,18?,32+/m1/s1
InChIKey
JEBFZOOYCAQXRD-JYZVJRISSA-N
Synonyms

132352249
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(pyrimidin2ylamino)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2(pyrimidin2ylamino)ethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(pyrimidin2ylamino)ethyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1ncccn1
InChI=1SC32H33ClN4O9c1161220(39)25(29(41)32(16)30(42)2622(443)1523(454)27(33)28(26)4632)18(176719(38)21(1317)432)1424(40)3410113731358593631h59131516183841H101214H214H3(H3440)(H353637)t1618?32+m1s1
ZINC000824595875
ZINC000824595877

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Available files

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