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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-[3-(furan-2-yl)propyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551701
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1ccco1

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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 C33H34ClNO8S MW 640.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34ClNO8S/c1-18-15-23(36)27(31(38)33(18)32(39)28-24(40-2)17-25(41-3)29(34)30(28)43-33)22(19-9-11-21(44-4)12-10-19)16-26(37)35-13-5-7-20-8-6-14-42-20/h6,8-12,14,17-18,22,38H,5,7,13,15-16H2,1-4H3,(H,35,37)/t18-,22?,33+/m1/s1
InChIKey
KMDYDTANFKPVPO-VTZHOLNHSA-N
Synonyms

135640057
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3(furan2yl)propyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3(furan2yl)propyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(3(furan2yl)propyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1ccco1
InChI=1SC33H34ClNO8Sc1181523(36)27(31(38)33(18)32(39)2824(402)1725(413)29(34)30(28)4333)22(1991121(444)121019)1626(37)3513572086144220h68121417182238H57131516H214H3(H3537)t1822?33+m1s1
ZINC001547138386
ZINC001547138387

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Available files

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