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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-{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
STL552279
SMILES COc1cc(ccc1O)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 C40H42ClN3O11 MW 776.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H42ClN3O11/c1-19-11-27(46)33(37(49)40(19)38(50)34-29(53-4)15-30(54-5)35(41)36(34)55-40)24(22-9-10-26(45)28(13-22)52-3)14-31(47)42-20(2)39(51)43-16-21-12-23(18-43)25-7-6-8-32(48)44(25)17-21/h6-10,13,15,19-21,23-24,45,49H,11-12,14,16-18H2,1-5H3,
InChIKey
MKZRDDCHZVQOGZ-GQQRAUEKSA-N
Synonyms

135640540
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propan2yl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)propanamide
COc1cc(ccc1O)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
DO(12A)(15)DIAZOCIN3(4H)YL)PROPAN2YL)PROPANAMIDE
InChI=1SC40H42ClN3O11c1191127(46)33(37(49)40(19)38(50)3429(534)1530(545)35(41)36(34)5540)24(2291026(45)28(1322)523)1431(47)4220(2)39(51)4316211223(1843)2576832(48)44(25)1721h6101315192123244549H1112141618H215H3(H4247)t19?20?2123+24?40?m1s1
ZINC001547208935
ZINC001547208938

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Available files

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