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N-{2-[6-({1,3-dimethyl-2,4,6-trioxo-5-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]hexahydropyrimidin-5-yl}methyl)-7-methoxy-1,3-benzodioxol-5-yl]ethyl}-N-methylbenzamide

Catalog ID
STL565455
SMILES COc1c(CC2(CN3CC4CC(C3)c3n(C4)c(=O)ccc3)C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=O)c2ccccc2)C)cc2c1OCO2

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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 C37H41N5O8 MW 683.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41N5O8/c1-38(33(44)24-9-6-5-7-10-24)14-13-25-16-29-32(50-22-49-29)31(48-4)27(25)17-37(34(45)39(2)36(47)40(3)35(37)46)21-41-18-23-15-26(20-41)28-11-8-12-30(43)42(28)19-23/h5-12,16,23,26H,13-15,17-22H2,1-4H3
InChIKey
ILGHKDWGCFMCEB-UHFFFAOYSA-N
Synonyms
370841-26-2
3502031
370841262
COc1c(CC2(CN3C(C@@H)4C(C@H)(C3)c3n(C4)c(=O)ccc3)C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=O)c2ccccc2)C)cc2c1OCO2
InChI=1SC37H41N5O8c138(33(44)2496571024)141325162932(50224929)31(484)27(25)1737(34(45)39(2)36(47)40(3)35(37)46)214118231526(2041)281181230(43)42(28)1923h512162326H13151722H214H3
MFCD02926023
N(2(6((13dimethyl246trioxo5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)hexahydropyrimidin5yl)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)Nmethylbenzamide
N(2(6((13dimethyl246trioxo5((6oxo711diazatricyclo(731027)trideca24dien11yl)methyl)13diazinan5yl)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylbenzamide
N(2(6((13dimethyl246trioxo5((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)hexahydropyrimidin5yl)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylbenzamide
ZINC000079204591

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Available files

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