Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(3,4,5-trimethoxyphenyl)hexanamide
Catalog ID
STL540983
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCCCC(=O)Nc1cc(OC)c(c(c1)OC)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 C36H45N3O9 MW 663.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O9/c1-21(40)38-26-14-12-22-17-29(43-2)35(47-6)36(48-7)33(22)24-13-15-27(28(41)20-25(24)26)37-16-10-8-9-11-32(42)39-23-18-30(44-3)34(46-5)31(19-23)45-4/h13,15,17-20,26H,8-12,14,16H2,1-7H3,(H,37,41)(H,38,40)(H,39,42)/t26-/m0/s1InChIKey
GJVMWXOJISTNEI-SANMLTNESA-NSynonyms
1574344-56-1(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(345trimethoxyphenyl)hexanamide
1574344561
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(345trimethoxyphenyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(345trimethoxyphenyl)hexanamide
75491880
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCCCC(=O)Nc1cc(OC)c(c(c1)OC)OC
InChI=1SC36H45N3O9c121(40)38261412221729(432)35(476)36(487)33(22)24131527(28(41)2025(24)26)371610891132(42)39231830(443)34(465)31(1923)454h1315172026H8121416H217H3(H3741)(H3840)(H3942)t26m0s1
ZINC000150653513
ZINC150653513
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.