Vitas-M small molecule compound
methyl (1-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}piperidin-4-yl)acetate
Catalog ID
STL550540
SMILES COC(=O)CC1CCN(CC1)C(=O)[C@H](C(C)C)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 C34H45N3O8 MW 623.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O8/c1-19(2)31(34(41)37-14-12-21(13-15-37)16-29(40)43-5)36-26-11-9-23-24(18-27(26)39)25(35-20(3)38)10-8-22-17-28(42-4)32(44-6)33(45-7)30(22)23/h9,11,17-19,21,25,31H,8,10,12-16H2,1-7H3,(H,35,38)(H,36,39)/t25-,31-/m0/s1InChIKey
ZILGXJXQMGNNQR-FKAPRUDGSA-NSynonyms
125428808
COC(=O)CC1CCN(CC1)C(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H45N3O8c119(2)31(34(41)37141221(131537)1629(40)435)36261192324(1827(26)39)25(3520(3)38)108221728(424)32(446)33(457)30(22)23h9111719212531H8101216H217H3(H3538)(H3639)t2531m0s1
methyl(1(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)piperidin4yl)acetate
methyl2(1((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)piperidin4yl)acetate
methyl2(1((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanoyl)piperidin4yl)acetate
ZINC000524730197
ZINC524730197
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.