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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-phenyl-1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

Catalog ID
STL551959
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1ncn[nH]1)Cc1ccccc1

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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 C36H35ClN4O7S MW 703.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35ClN4O7S/c1-19-14-25(42)29(33(44)36(19)34(45)30-26(46-2)17-27(47-3)31(37)32(30)48-36)23(21-10-12-22(49-4)13-11-21)16-28(43)40-24(35-38-18-39-41-35)15-20-8-6-5-7-9-20/h5-13,17-19,23-24,44H,14-16H2,1-4H3,(H,40,43)(H,38,39,41)/t19-,23?,24?,36+/
InChIKey
HDXQIMKALGFFIK-BNBTWMQVSA-N
Synonyms

135640278
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2phenyl1(1H124triazol5yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2phenyl1(1~(H)124triazol5yl)ethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2phenyl1(1H124triazol5yl)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)NC(c1ncn(nH)1)Cc1ccccc1
InChI=1SC36H35ClN4O7Sc1191425(42)29(33(44)36(19)34(45)3026(462)1727(473)31(37)32(30)4836)23(21101222(494)131121)1628(43)4024(353818394135)15208657920h5131719232444H1416H214H3(H4043)(H383941)t1923?24?36+m1s1
ZINC001547138822
ZINC001547138828

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Available files

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