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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(1H-benzimidazol-1-yl)ethyl]-L-methioninamide

Catalog ID
STL542502
SMILES CSCC[C@@H](C(=O)NCCn1cnc2c1cccc2)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 C35H41N5O6S MW 659.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6S/c1-21(41)38-25-12-10-22-18-31(44-2)33(45-3)34(46-4)32(22)23-11-13-27(30(42)19-24(23)25)39-28(14-17-47-5)35(43)36-15-16-40-20-37-26-8-6-7-9-29(26)40/h6-9,11,13,18-20,25,28H,10,12,14-17H2,1-5H3,(H,36,43)(H,38,41)(H,39,42)/t25-,28-/m0/s1
InChIKey
VPKHXKUPCJSCHF-LSYYVWMOSA-N
Synonyms
1574343-64-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(benzimidazol1yl)ethyl)4methylsulfanylbutanamide
(S)N(2(1Hbenzo(d)imidazol1yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
1574343648
75491081
CSCC(C@@H)(C(=O)NCCn1cnc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N5O6Sc121(41)38251210221831(442)33(453)34(464)32(22)23111327(30(42)1924(23)25)3928(1417475)35(43)36151640203726867929(26)40h69111318202528H10121417H215H3(H3643)(H3841)(H3942)t2528m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hbenzimidazol1yl)ethyl)Lmethioninamide
ZINC000150653011
ZINC150653011

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Available files

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