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3,3'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-diyldisulfonyl)bis(1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one)

Catalog ID
STL529351
SMILES O=c1cccc2n1CC1CC2CN(C1)S(=O)(=O)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)ccc(c1)S(=O)(=O)N1CC2CC(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 C42H48N4O12S2 MW 864.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H48N4O12S2/c47-41-5-1-3-35-31-19-29(25-45(35)41)23-43(27-31)59(49,50)33-7-9-37-39(21-33)57-17-13-54-14-18-58-40-22-34(8-10-38(40)56-16-12-53-11-15-55-37)60(51,52)44-24-30-20-32(28-44)36-4-2-6-42(48)46(36)26-30/h1-10,21-22,29-32H,11-20,23-28H2
InChIKey
IMVHYSWWBHTDEG-UHFFFAOYSA-N
Synonyms

(1R1R5R5R)33(6791017182021octahydrodibenzo(bk)(147101316)hexaoxacyclooctadecine214disulfonyl)bis(3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one)
11((25((6oxo711diazatricyclo(7310^(27))trideca24dien11yl)sulfonyl)258151821hexaoxatricyclo(20400^(914))hexacosa1(22)9(14)10122325hexaen11yl)sulfonyl)711diazatricyclo(7310^(27))trideca24dien6one
33(6791017182021octahydrodibenzo(bk)(147101316)hexaoxacyclooctadecine214diyldisulfonyl)bis(123456hexahydro8H15methanopyrido(12a)(15)diazocin8one)
3781263
InChI=1SC42H48N4O12S2c474151335311929(2545(35)41)2343(2731)59(4950)33793739(2133)57171354141858402234(81038(40)5616125311155537)60(5152)4424302032(2844)3642642(48)46(36)2630h11021222932H11202328H2
MFCD05725900
O=c1cccc2n1C(C@H)1C(C@@H)2CN(C1)S(=O)(=O)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)ccc(c1)S(=O)(=O)N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
ZINC000150520045

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Available files

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