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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-(2-methylpropyl)-1H-benzimidazol-5-yl]alaninamide

Catalog ID
STL548717
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)nc([nH]3)CC(C)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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-18(2)14-31-39-26-12-9-22(16-28(26)40-31)38-35(43)19(3)36-27-13-10-23-24(17-29(27)42)25(37-20(4)41)11-8-21-15-30(44-5)33(45-6)34(46-7)32(21)23/h9-10,12-13,15-19,25H,8,11,14H2,1-7H3,(H,36,42)(H,37,41)(H,38,43)(H,39,40)
InChIKey
SEBFBXMKTLJSTB-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isobutyl1Hbenzo(d)imidazol5yl)propanamide
122169695
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2methylpropyl)3~(H)benzimidazol5yl)propanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CC(C)C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H41N5O6c118(2)1431392612922(1628(26)4031)3835(43)19(3)362713102324(1729(27)42)25(3720(4)41)118211530(445)33(456)34(467)32(21)23h9101213151925H81114H217H3(H3642)(H3741)(H3843)(H3940)
MFCD31756803
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methylpropyl)1Hbenzimidazol5yl)alaninamide
ZINC000263586285
ZINC000409415061

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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