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N-[(7S)-10-{[(2S)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL541372
SMILES CSCC[C@@H](C(=O)N1CCc2c(C1)cc(c(c2)OC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C37H45N3O8S MW 691.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N3O8S/c1-21(41)38-27-10-8-23-17-33(46-4)35(47-5)36(48-6)34(23)25-9-11-28(30(42)19-26(25)27)39-29(13-15-49-7)37(43)40-14-12-22-16-31(44-2)32(45-3)18-24(22)20-40/h9,11,16-19,27,29H,8,10,12-15,20H2,1-7H3,(H,38,41)(H,39,42)/t27-,29-/m0/s1
InChIKey
QNJNPPSCKIKETO-YTMVLYRLSA-N
Synonyms
1574391-61-9
~(N)((7~(S))10(((2~(S))1(67dimethoxy34dihydro1~(H)isoquinolin2yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574391619
75491908
CSCC(C@@H)(C(=O)N1CCc2c(C1)cc(c(c2)OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H45N3O8Sc121(41)3827108231733(464)35(475)36(486)34(23)2591128(30(42)1926(25)27)3929(1315497)37(43)401412221631(442)32(453)1824(22)2040h91116192729H810121520H217H3(H3841)(H3942)t2729m0s1
N((7S)10(((2S)1(67dimethoxy34dihydroisoquinolin2(1H)yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(67dimethoxy34dihydroisoquinolin2(1H)yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653532
ZINC150653532

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Available files

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