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

Catalog ID
STL546336
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)nc([nH]3)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C37H45N5O6 MW 655.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O6/c1-19(2)15-30(37(45)39-23-10-13-27-29(17-23)42-36(41-27)20(3)4)40-28-14-11-24-25(18-31(28)44)26(38-21(5)43)12-9-22-16-32(46-6)34(47-7)35(48-8)33(22)24/h10-11,13-14,16-20,26,30H,9,12,15H2,1-8H3,(H,38,43)(H,39,45)(H,40,44)(H,41,42)
InChIKey
QDTTXGCXZGCQJL-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isopropyl1Hbenzo(d)imidazol6yl)4methylpentanamide
122169705
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(2propan2yl3~(H)benzimidazol5yl)pentanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)(nH)c(n3)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H45N5O6c119(2)1530(37(45)392310132729(1723)4236(4127)20(3)4)402814112425(1831(28)44)26(3821(5)43)129221632(466)34(477)35(488)33(22)24h1011131416202630H91215H218H3(H3843)(H3945)(H4044)(H4142)
MFCD31756385
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(propan2yl)1Hbenzimidazol5yl)leucinamide
ZINC000263586104
ZINC000409414875

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Available files

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