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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-sulfanylethyl)propanamide

Catalog ID
STL551788
SMILES SCCNC(=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 C28H30ClNO7S2 MW 592.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO7S2/c1-14-11-18(31)22(17(12-21(32)30-9-10-38)15-5-7-16(39-4)8-6-15)26(33)28(14)27(34)23-19(35-2)13-20(36-3)24(29)25(23)37-28/h5-8,13-14,17,33,38H,9-12H2,1-4H3,(H,30,32)/t14-,17?,28+/m1/s1
InChIKey
JKVJBZGUMCAVOR-BIXJHLNHSA-N
Synonyms

135640132
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2mercaptoethyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2sulfanylethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2sulfanylethyl)propanamide
InChI=1SC28H30ClNO7S2c1141118(31)22(17(1221(32)3091038)155716(394)8615)26(33)28(14)27(34)2319(352)1320(363)24(29)25(23)3728h581314173338H912H214H3(H3032)t1417?28+m1s1
SCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
ZINC001547139078
ZINC001547139082

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Available files

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