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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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL552363
SMILES OCC(Cc1ccccc1)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC

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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 C35H36ClNO8S MW 666.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClNO8S/c1-19-14-25(39)29(33(41)35(19)34(42)30-26(43-2)17-27(44-3)31(36)32(30)45-35)24(21-10-12-23(46-4)13-11-21)16-28(40)37-22(18-38)15-20-8-6-5-7-9-20/h5-13,17,19,22,24,38,41H,14-16,18H2,1-4H3,(H,37,40)/t19-,22-,24?,35+/m1/s1
InChIKey
AXVZDIRRRBFFOO-XSWXGZAWSA-N
Synonyms

135640611
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((R)1hydroxy3phenylpropan2yl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((2~(R))1hydroxy3phenylpropan2yl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((2R)1hydroxy3phenylpropan2yl)3(4(methylsulfanyl)phenyl)propanamide
InChI=1SC35H36ClNO8Sc1191425(39)29(33(41)35(19)34(42)3026(432)1727(443)31(36)32(30)4535)24(21101223(464)131121)1628(40)3722(1838)15208657920h513171922243841H141618H214H3(H3740)t192224?35+m1s1
OC(C@@H)(Cc1ccccc1)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
ZINC001547138458
ZINC001547138461

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Available files

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