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

Catalog ID
STL540167
SMILES CC[C@H]([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)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 C38H47N3O8 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O8/c1-9-21(2)35(38(44)41-15-14-23-16-31(45-4)32(46-5)18-25(23)20-41)40-29-13-11-26-27(19-30(29)43)28(39-22(3)42)12-10-24-17-33(47-6)36(48-7)37(49-8)34(24)26/h11,13,16-19,21,28,35H,9-10,12,14-15,20H2,1-8H3,(H,39,42)(H,40,43)/t21-,28+,35+/m
InChIKey
MJFBAWSWHZUAPD-HKJHRASTSA-N
Synonyms
1574380-05-4
~(N)((7~(S))10(((2~(S)3~(R))1(67dimethoxy34dihydro1~(H)isoquinolin2yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574380054
75492090
CC(C@H)((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)C
InChI=1SC38H47N3O8c1921(2)35(38(44)411514231631(454)32(465)1825(23)2041)402913112627(1930(29)43)28(3922(3)42)1210241733(476)36(487)37(498)34(24)26h11131619212835H91012141520H218H3(H3942)(H4043)t2128+35+m1s1
N((7S)10(((2S)1(67dimethoxy34dihydroisoquinolin2(1H)yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(67dimethoxy34dihydroisoquinolin2(1H)yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653619
ZINC150653619

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Available files

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