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3-(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-{1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propan-2-yl}propanamide

Catalog ID
STL551662
SMILES CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

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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 C40H42ClN3O9S MW 776.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42ClN3O9S/c1-20-13-28(45)33(37(48)40(20)38(49)34-29(51-3)16-30(52-4)35(41)36(34)53-40)26(23-9-11-25(54-5)12-10-23)15-31(46)42-21(2)39(50)43-17-22-14-24(19-43)27-7-6-8-32(47)44(27)18-22/h6-12,16,20-22,24,26,48H,13-15,17-19H2,1-5H3,(H,42,46)/t2
InChIKey
NNTBWZQDVJDHAE-IYUDIQJBSA-N
Synonyms
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propan2yl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)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)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
O(12A)(15)DIAZOCIN3(4H)YL)PROPAN2YL)PROPANAMIDE
Registry IDs
ZINC001547139333
ZINC001547208565

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Available files

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