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-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methioninamide
Catalog ID
STL551331
SMILES CSCCC(C(=O)Nc1[nH]nc(n1)C1CCCCC1)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 C34H44N6O6S MW 664.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N6O6S/c1-19(41)35-24-13-11-21-17-28(44-2)30(45-3)31(46-4)29(21)22-12-14-25(27(42)18-23(22)24)36-26(15-16-47-5)33(43)38-34-37-32(39-40-34)20-9-7-6-8-10-20/h12,14,17-18,20,24,26H,6-11,13,15-16H2,1-5H3,(H,35,41)(H,36,42)(H2,37,38,39,40,43)InChIKey
UZTVGRVLBHSSNM-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5cyclohexyl1H124triazol3yl)4(methylthio)butanamide
132286471
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5cyclohexyl1~(H)124triazol3yl)4methylsulfanylbutanamide
InChI=1SC34H44N6O6Sc119(41)35241311211728(442)30(453)31(464)29(21)22121425(27(42)1823(22)24)3626(1516475)33(43)38343732(394034)2097681020h12141718202426H611131516H215H3(H3541)(H3642)(H23738394043)
MFCD31758075
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3cyclohexyl1H124triazol5yl)methioninamide
ZINC000524732047
ZINC000888090791
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