Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-cyclooctyl-L-methioninamide
Catalog ID
STL545300
SMILES CSCC[C@@H](C(=O)NC1CCCCCCC1)Nc1ccc2c(cc1=O)[C@H](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 C34H47N3O6S MW 625.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47N3O6S/c1-21(38)35-26-15-13-22-19-30(41-2)32(42-3)33(43-4)31(22)24-14-16-27(29(39)20-25(24)26)37-28(17-18-44-5)34(40)36-23-11-9-7-6-8-10-12-23/h14,16,19-20,23,26,28H,6-13,15,17-18H2,1-5H3,(H,35,38)(H,36,40)(H,37,39)/t26-,28-/m0/s1InChIKey
PSLWZEGHPHYRKB-XCZPVHLTSA-NSynonyms
1574390-25-2(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclooctyl4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclooctyl4(methylthio)butanamide
1574390252
75491714
CSCC(C@@H)(C(=O)NC1CCCCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H47N3O6Sc121(38)35261513221930(412)32(423)33(434)31(22)24141627(29(39)2025(24)26)3728(1718445)34(40)3623119768101223h14161920232628H613151718H215H3(H3538)(H3640)(H3739)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcyclooctylLmethioninamide
ZINC000108449311
ZINC108449311
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.