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]valinamide
Catalog ID
STL548683
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)[nH]c(n3)CC(C)C)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 C37H45N5O6 MW 655.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O6/c1-19(2)15-32-40-27-13-10-23(17-29(27)41-32)39-37(45)34(20(3)4)42-28-14-11-24-25(18-30(28)44)26(38-21(5)43)12-9-22-16-31(46-6)35(47-7)36(48-8)33(22)24/h10-11,13-14,16-20,26,34H,9,12,15H2,1-8H3,(H,38,43)(H,39,45)(H,40,41)(H,42,44)InChIKey
MORUMOGZYRQVLQ-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isobutyl1Hbenzo(d)imidazol5yl)3methylbutanamide
122169459
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(2methylpropyl)3~(H)benzimidazol5yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CC(C)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H45N5O6c119(2)15324027131023(1729(27)4132)3937(45)34(20(3)4)422814112425(1830(28)44)26(3821(5)43)129221631(466)35(477)36(488)33(22)24h1011131416202634H91215H218H3(H3843)(H3945)(H4041)(H4244)
MFCD31756794
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methylpropyl)1Hbenzimidazol6yl)valinamide
ZINC000253409874
ZINC000409413495
Check stock
See real-time availability and sample size for STL548683 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.