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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-(dimethylamino)ethyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551789
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc(cc1)SC)CC(=O)NCCN(C)C)Cl

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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 C30H35ClN2O7S MW 603.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35ClN2O7S/c1-16-13-20(34)24(19(14-23(35)32-11-12-33(2)3)17-7-9-18(41-6)10-8-17)28(36)30(16)29(37)25-21(38-4)15-22(39-5)26(31)27(25)40-30/h7-10,15-16,19,36H,11-14H2,1-6H3,(H,32,35)/t16-,19?,30+/m1/s1
InChIKey
INAIMGXSDGGOJX-XEGLVFTNSA-N
Synonyms

135640133
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(dimethylamino)ethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(dimethylamino)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(dimethylamino)ethyl)3(4(methylsulfanyl)phenyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc(cc1)SC)CC(=O)NCCN(C)C)Cl
InChI=1SC30H35ClN2O7Sc1161320(34)24(19(1423(35)32111233(2)3)177918(416)10817)28(36)30(16)29(37)2521(384)1522(395)26(31)27(25)4030h71015161936H1114H216H3(H3235)t1619?30+m1s1
ZINC001547138351
ZINC001547138352

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Available files

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