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methyl 5-[({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]propanoyl}amino)methyl]furan-2-carboxylate

Catalog ID
STL552324
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccc(o1)C(=O)OC

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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 C33H32ClNO10S MW 670.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClNO10S/c1-16-12-21(36)26(30(38)33(16)31(39)27-23(41-2)14-24(42-3)28(34)29(27)45-33)20(17-6-9-19(46-5)10-7-17)13-25(37)35-15-18-8-11-22(44-18)32(40)43-4/h6-11,14,16,20,38H,12-13,15H2,1-5H3,(H,35,37)/t16-,20?,33+/m1/s1
InChIKey
SFYRLROFAGDADI-DBJHRKQDSA-N
Synonyms

135640581
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1ccc(o1)C(=O)OC
InChI=1SC33H32ClNO10Sc1161221(36)26(30(38)33(16)31(39)2723(412)1424(423)28(34)29(27)4533)20(176919(465)10717)1325(37)35151881122(4418)32(40)434h61114162038H121315H215H3(H3537)t1620?33+m1s1
methyl5(((3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanoyl)amino)methyl)furan2carboxylate
methyl5(((3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanoyl)amino)methyl)furan2carboxylate
methyl5((3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamido)methyl)furan2carboxylate
ZINC001547139528
ZINC001547139529

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Available files

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