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3,4-dimethoxy-6-(2-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}ethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione

Catalog ID
STL550606
SMILES COc1ccc2c(c1OC)c(=O)n(c1c2C(=O)c2c1cccc2)CCS(=O)(=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 C31H29N3O7S MW 587.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O7S/c1-40-24-11-10-22-26-28(20-6-3-4-7-21(20)29(26)36)33(31(37)27(22)30(24)41-2)12-13-42(38,39)32-15-18-14-19(17-32)23-8-5-9-25(35)34(23)16-18/h3-11,18-19H,12-17H2,1-2H3/t18-,19+/m1/s1
InChIKey
NVYIRROLRXGHFP-MOPGFXCFSA-N
Synonyms

127252621
34dimethoxy6(2(((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)sulfonyl)ethyl)indeno(12c)isoquinoline511dione
34dimethoxy6(2(((1R5R)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)sulfonyl)ethyl)5Hindeno(12c)isoquinoline511(6H)dione
34dimethoxy6(2(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)sulfonyl)ethyl)5Hindeno(12c)isoquinoline511(6H)dione
COc1ccc2c(c1OC)c(=O)n(c1c2C(=O)c2c1cccc2)CCS(=O)(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC31H29N3O7Sc140241110222628(20634721(20)29(26)36)33(31(37)27(22)30(24)412)121342(3839)3215181419(1732)2385925(35)34(23)1618h3111819H1217H212H3t1819+m1s1
ZINC000604404993
ZINC604404993

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Available files

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