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

Catalog ID
STL552286
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C40H42ClN3O11 MW 776.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42ClN3O11/c1-20-12-27(46)34(38(50)40(20)39(51)35-29(53-3)16-30(54-4)36(41)37(35)55-40)24(22-8-9-26(45)28(14-22)52-2)15-31(47)42-11-10-32(48)43-17-21-13-23(19-43)25-6-5-7-33(49)44(25)18-21/h5-9,14,16,20-21,23-24,45,50H,10-13,15,17-19H2,1-4H3,(
InChIKey
FHNXUSFUYRPOCV-SEAQKXBNSA-N
Synonyms

135640546
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(3oxo3((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3oxo3((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
DO(12A)(15)DIAZOCIN3(4H)YL)PROPYL)PROPANAMIDE
InChI=1SC40H42ClN3O11c1201227(46)34(38(50)40(20)39(51)3529(533)1630(544)36(41)37(35)5540)24(228926(45)28(1422)522)1531(47)42111032(48)4317211323(1943)2565733(49)44(25)1821h591416202123244550H1013151719H214H3(H4247)t20?2123+24?40?m1s1
ZINC000824595845
ZINC001547212335

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Available files

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