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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-[(1-methyl-1H-benzimidazol-2-yl)methyl]-L-methioninamide

Catalog ID
STL541409
SMILES CSCC[C@@H](C(=O)NCc1nc2c(n1C)cccc2)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/c1-20(41)37-24-13-11-21-17-30(44-3)33(45-4)34(46-5)32(21)22-12-14-26(29(42)18-23(22)24)38-27(15-16-47-6)35(43)36-19-31-39-25-9-7-8-10-28(25)40(31)2/h7-10,12,14,17-18,24,27H,11,13,15-16,19H2,1-6H3,(H,36,43)(H,37,41)(H,38,42)/t24-,27-/m
InChIKey
YLHQRGROUONBFO-IGKIAQTJSA-N
Synonyms
1574390-61-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1methylbenzimidazol2yl)methyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Hbenzo(d)imidazol2yl)methyl)4(methylthio)butanamide
1574390616
75491778
CSCC(C@@H)(C(=O)NCc1nc2c(n1C)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N5O6Sc120(41)37241311211730(443)33(454)34(465)32(21)22121426(29(42)1823(22)24)3827(1516476)35(43)36193139259781028(25)40(31)2h710121417182427H1113151619H216H3(H3643)(H3741)(H3842)t2427m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Hbenzimidazol2yl)methyl)Lmethioninamide
ZINC000150653467
ZINC150653467

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Available files

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