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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-methyl-1H-benzimidazol-6-yl)isoleucinamide

Catalog ID
STL546368
SMILES CCC(C(C(=O)Nc1ccc2c(c1)[nH]c(n2)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-8-18(2)32(35(43)39-22-10-13-26-28(16-22)37-19(3)36-26)40-27-14-11-23-24(17-29(27)42)25(38-20(4)41)12-9-21-15-30(44-5)33(45-6)34(46-7)31(21)23/h10-11,13-18,25,32H,8-9,12H2,1-7H3,(H,36,37)(H,38,41)(H,39,43)(H,40,42)
InChIKey
ORCSDDXRZCRAIF-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2methyl1Hbenzo(d)imidazol6yl)pentanamide
122169713
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2methyl3~(H)benzimidazol5yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)(nH)c(n2)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N5O6c1818(2)32(35(43)392210132628(1622)3719(3)3626)402714112324(1729(27)42)25(3820(4)41)129211530(445)33(456)34(467)31(21)23h101113182532H8912H217H3(H3637)(H3841)(H3943)(H4042)
MFCD31756393
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methyl1Hbenzimidazol6yl)isoleucinamide
ZINC000409414798
ZINC000409414802

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Available files

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

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