Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(2-methylpropyl)-1H-benzimidazol-6-yl]butanamide
Catalog ID
STL545290
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)[nH]c(n3)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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-20(2)16-32-40-27-13-10-23(18-29(27)41-32)39-33(44)8-7-15-37-28-14-11-24-25(19-30(28)43)26(38-21(3)42)12-9-22-17-31(45-4)35(46-5)36(47-6)34(22)24/h10-11,13-14,17-20,26H,7-9,12,15-16H2,1-6H3,(H,37,43)(H,38,42)(H,39,44)(H,40,41)InChIKey
PMWVQZAGFDZLSS-UHFFFAOYSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isobutyl1Hbenzo(d)imidazol5yl)butanamide
110210130
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(2methylpropyl)1Hbenzimidazol6yl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2methylpropyl)3~(H)benzimidazol5yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)nc((nH)3)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H43N5O6c120(2)16324027131023(1829(27)4132)3933(44)8715372814112425(1930(28)43)26(3821(3)42)129221731(454)35(465)36(476)34(22)24h10111314172026H79121516H216H3(H3743)(H3842)(H3944)(H4041)
MFCD31756211
ZINC000108449443
ZINC000252540564
Check stock
See real-time availability and sample size for STL545290 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.