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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-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-L-methioninamide

Catalog ID
STL547740
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)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 C35H41N5O7S MW 675.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O7S/c1-19(41)36-24-11-8-20-16-30(45-4)32(46-5)33(47-6)31(20)22-10-12-25(29(42)18-23(22)24)38-26(14-15-48-7)34(43)37-21-9-13-27-28(17-21)40(3)35(44)39(27)2/h9-10,12-13,16-18,24,26H,8,11,14-15H2,1-7H3,(H,36,41)(H,37,43)(H,38,42)/t24-,26-/m0
InChIKey
QALBPIPIROSPRU-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13dimethyl2oxobenzimidazol5yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)4(methylthio)butanamide
121541814
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N5O7Sc119(41)3624118201630(454)32(465)33(476)31(20)22101225(29(42)1823(22)24)3826(1415487)34(43)37219132728(1721)40(3)35(44)39(27)2h910121316182426H8111415H217H3(H3641)(H3743)(H3842)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)Lmethioninamide
ZINC000263586101
ZINC263586101

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Available files

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