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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-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}-L-alaninamide

Catalog ID
STL545524
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCc1nc2c(n1C(C)C)cccc2)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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-20(2)41-29-11-9-8-10-27(29)40-32(41)16-17-37-36(44)21(3)38-28-15-13-24-25(19-30(28)43)26(39-22(4)42)14-12-23-18-31(45-5)34(46-6)35(47-7)33(23)24/h8-11,13,15,18-21,26H,12,14,16-17H2,1-7H3,(H,37,44)(H,38,43)(H,39,42)/t21-,26-/m0/s1
InChIKey
AEJNSLZBSQSQOM-LVXARBLLSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1propan2ylbenzimidazol2yl)ethyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(1isopropyl1Hbenzo(d)imidazol2yl)ethyl)propanamide
110206262
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCc1nc2c(n1C(C)C)cccc2)C
InChI=1SC36H43N5O6c120(2)412911981027(29)4032(41)16173736(44)21(3)382815132425(1930(28)43)26(3922(4)42)1412231831(455)34(466)35(477)33(23)24h8111315182126H12141617H217H3(H3744)(H3843)(H3942)t2126m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1(propan2yl)1Hbenzimidazol2yl)ethyl)Lalaninamide
ZINC000253394585
ZINC253394585

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Available files

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