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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-(pyridin-4-ylmethyl)propanamide

Catalog ID
STL552173
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccncc1

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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 C32H31ClN2O7S MW 623.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClN2O7S/c1-17-13-22(36)26(30(38)32(17)31(39)27-23(40-2)15-24(41-3)28(33)29(27)42-32)21(19-5-7-20(43-4)8-6-19)14-25(37)35-16-18-9-11-34-12-10-18/h5-12,15,17,21,38H,13-14,16H2,1-4H3,(H,35,37)/t17-,21?,32+/m1/s1
InChIKey
ADKADOLRQGPDIW-GHVUFEAXSA-N
Synonyms

135640452
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(pyridin4ylmethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(pyridin4ylmethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(pyridin4ylmethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccncc1
InChI=1SC32H31ClN2O7Sc1171322(36)26(30(38)32(17)31(39)2723(402)1524(413)28(33)29(27)4232)21(195720(434)8619)1425(37)35161891134121018h51215172138H131416H214H3(H3537)t1721?32+m1s1
ZINC001547138410
ZINC001547138417

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Available files

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