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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-(pyridin-2-yl)ethyl]propanamide

Catalog ID
STL552525
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1ccccn1

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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 C33H33ClN2O7S MW 637.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33ClN2O7S/c1-18-15-23(37)27(31(39)33(18)32(40)28-24(41-2)17-25(42-3)29(34)30(28)43-33)22(19-8-10-21(44-4)11-9-19)16-26(38)36-14-12-20-7-5-6-13-35-20/h5-11,13,17-18,22,39H,12,14-16H2,1-4H3,(H,36,38)/t18-,22?,33+/m1/s1
InChIKey
KPTROOXQNFKKHK-VTZHOLNHSA-N
Synonyms

135640745
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2(pyridin2yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2pyridin2ylethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2(pyridin2yl)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)NCCc1ccccn1
InChI=1SC33H33ClN2O7Sc1181523(37)27(31(39)33(18)32(40)2824(412)1725(423)29(34)30(28)4333)22(1981021(444)11919)1626(38)36141220756133520h5111317182239H121416H214H3(H3638)t1822?33+m1s1
ZINC001547139163
ZINC001547139165

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Available files

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