Vitas-M small molecule compound

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-6-yl]leucinamide

Catalog ID
STL548616
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)[nH]c(n3)CC(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 C38H47N5O6 MW 669.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N5O6/c1-20(2)15-31(38(46)40-24-10-13-28-30(18-24)43-34(42-28)16-21(3)4)41-29-14-11-25-26(19-32(29)45)27(39-22(5)44)12-9-23-17-33(47-6)36(48-7)37(49-8)35(23)25/h10-11,13-14,17-21,27,31H,9,12,15-16H2,1-8H3,(H,39,44)(H,40,46)(H,41,45)(H,42,43)
InChIKey
OCPBZMNGFBHXLX-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isobutyl1Hbenzo(d)imidazol5yl)4methylpentanamide
122169702
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(2(2methylpropyl)3~(H)benzimidazol5yl)pentanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CC(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC38H47N5O6c120(2)1531(38(46)402410132830(1824)4334(4228)1621(3)4)412914112526(1932(29)45)27(3922(5)44)129231733(476)36(487)37(498)35(23)25h1011131417212731H9121516H218H3(H3944)(H4046)(H4145)(H4243)
MFCD31756782
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methylpropyl)1Hbenzimidazol6yl)leucinamide
ZINC000263585951
ZINC000409414768

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Available files

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