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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-(trans-4-hydroxycyclohexyl)-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552064
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@@H]1CC[C@H](CC1)O

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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 C32H36ClNO8S MW 630.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36ClNO8S/c1-16-13-22(36)26(30(38)32(16)31(39)27-23(40-2)15-24(41-3)28(33)29(27)42-32)21(17-5-11-20(43-4)12-6-17)14-25(37)34-18-7-9-19(35)10-8-18/h5-6,11-12,15-16,18-19,21,35,38H,7-10,13-14H2,1-4H3,(H,34,37)/t16-,18-,19-,21?,32+/m1/s1
InChIKey
GUYLSTYWUUMDAO-VELFNJFCSA-N
Synonyms

3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((1r4S)4hydroxycyclohexyl)3(4(methylthio)phenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(trans4hydroxycyclohexyl)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)N(C@@H)1CC(C@H)(CC1)O
InChI=1SC32H36ClNO8Sc1161322(36)26(30(38)32(16)31(39)2723(402)1524(413)28(33)29(27)4232)21(1751120(434)12617)1425(37)34187919(35)10818h56111215161819213538H7101314H214H3(H3437)t16181921?32+m1s1
ZINC001547138787
ZINC001547138788

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Available files

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