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-(propan-2-yl)-1H-benzimidazol-6-yl]methioninamide
Catalog ID
STL548443
SMILES CSCCC(C(=O)Nc1ccc2c(c1)[nH]c(n2)C(C)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H43N5O6S MW 673.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6S/c1-19(2)35-40-26-12-9-22(17-29(26)41-35)38-36(44)28(14-15-48-7)39-27-13-10-23-24(18-30(27)43)25(37-20(3)42)11-8-21-16-31(45-4)33(46-5)34(47-6)32(21)23/h9-10,12-13,16-19,25,28H,8,11,14-15H2,1-7H3,(H,37,42)(H,38,44)(H,39,43)(H,40,41)InChIKey
NLZHCTXFAQIMEX-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isopropyl1Hbenzo(d)imidazol5yl)4(methylthio)butanamide
122169718
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(2propan2yl3~(H)benzimidazol5yl)butanamide
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)nc((nH)2)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H43N5O6Sc119(2)35402612922(1729(26)4135)3836(44)28(1415487)392713102324(1830(27)43)25(3720(3)42)118211631(454)33(465)34(476)32(21)23h910121316192528H8111415H217H3(H3742)(H3844)(H3943)(H4041)
MFCD31756757
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(propan2yl)1Hbenzimidazol6yl)methioninamide
ZINC000253410591
ZINC000409414621
Check stock
See real-time availability and sample size for STL548443 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.