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3-(1,3-benzodioxol-5-yl)-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-sulfanylethyl)propanamide

Catalog ID
STL552237
SMILES SCCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2

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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 C28H28ClNO9S MW 590.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO9S/c1-13-8-16(31)22(15(10-21(32)30-6-7-40)14-4-5-17-18(9-14)38-12-37-17)26(33)28(13)27(34)23-19(35-2)11-20(36-3)24(29)25(23)39-28/h4-5,9,11,13,15,33,40H,6-8,10,12H2,1-3H3,(H,30,32)/t13-,15?,28+/m1/s1
InChIKey
JMYURMBGQWDDRX-BMOAIXFVSA-N
Synonyms

135640508
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2sulfanylethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2sulfanylethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2mercaptoethyl)propanamide
InChI=1SC28H28ClNO9Sc113816(31)22(15(1021(32)306740)14451718(914)38123717)26(33)28(13)27(34)2319(352)1120(363)24(29)25(23)3928h4591113153340H681012H213H3(H3032)t1315?28+m1s1
SCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2
ZINC001547139083
ZINC001547139085

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Available files

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