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N-[(7S)-10-{[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-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
STL547449
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCCC1)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 C36H51N5O8S2 MW 745.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H51N5O8S2/c1-24(42)37-28-12-10-25-22-32(47-2)34(48-3)35(49-4)33(25)26-11-13-29(31(43)23-27(26)28)38-30(14-21-50-5)36(44)39-17-19-41(20-18-39)51(45,46)40-15-8-6-7-9-16-40/h11,13,22-23,28,30H,6-10,12,14-21H2,1-5H3,(H,37,42)(H,38,43)/t28-,30-/m0/
InChIKey
UANCFODITYRFFR-JDXGNMNLSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(4(azepan1ylsulfonyl)piperazin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541739
CSCC(C@@H)(C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H51N5O8S2c124(42)37281210252232(472)34(483)35(494)33(25)26111329(31(43)2327(26)28)3830(1421505)36(44)39171941(201839)51(4546)401586791640h111322232830H610121421H215H3(H3742)(H3843)t2830m0s1
N((7S)10(((2S)1(4(azepan1ylsulfonyl)piperazin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4(azepan1ylsulfonyl)piperazin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586397
ZINC263586397

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Available files

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