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3-(1,3-benzodioxol-5-yl)-3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-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
STL552163
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C)Cl

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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 C40H40ClN3O11 MW 774.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H40ClN3O11/c1-19-10-26(45)33(37(48)40(19)38(49)34-29(51-3)14-30(52-4)35(41)36(34)55-40)24(22-8-9-27-28(12-22)54-18-53-27)13-31(46)42-20(2)39(50)43-15-21-11-23(17-43)25-6-5-7-32(47)44(25)16-21/h5-9,12,14,19-21,23-24,48H,10-11,13,15-18H2,1-4H3,(
InChIKey
ZZVSWVPAWFIIKX-GQQRAUEKSA-N
Synonyms

135640443
2A)(15)DIAZOCIN3(4H)YL)PROPAN2YL)PROPANAMIDE
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propan2yl)propanamide
3(13benzodioxol5yl)3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propan2yl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C)Cl
InChI=1SC40H40ClN3O11c1191026(45)33(37(48)40(19)38(49)3429(513)1430(524)35(41)36(34)5540)24(22892728(1222)54185327)1331(46)4220(2)39(50)4315211123(1743)2565732(47)44(25)1621h5912141921232448H1011131518H214H3(H4246)t19?20?2123+24?40?m1s1
ZINC001547139765
ZINC001547208641

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Available files

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