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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-1H-benzimidazol-6-yl-L-methioninamide

Catalog ID
STL547342
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)[nH]cn2)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 C33H37N5O6S MW 631.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O6S/c1-18(39)36-23-9-6-19-14-29(42-2)31(43-3)32(44-4)30(19)21-8-11-25(28(40)16-22(21)23)38-26(12-13-45-5)33(41)37-20-7-10-24-27(15-20)35-17-34-24/h7-8,10-11,14-17,23,26H,6,9,12-13H2,1-5H3,(H,34,35)(H,36,39)(H,37,41)(H,38,40)/t23-,26-/m0/s
InChIKey
VVLGRXQGVUVLMV-OZXSUGGESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3~(H)benzimidazol5yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hbenzo(d)imidazol6yl)4(methylthio)butanamide
121541277
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)(nH)cn2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H37N5O6Sc118(39)362396191429(422)31(433)32(444)30(19)2181125(28(40)1622(21)23)3826(1213455)33(41)37207102427(1520)35173424h78101114172326H691213H215H3(H3435)(H3639)(H3741)(H3840)t2326m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hbenzimidazol6ylLmethioninamide
ZINC000263586566
ZINC263586566

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Available files

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