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-[(1-methyl-1H-pyrrol-2-yl)methyl]hexanamide
Catalog ID
STL544975
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)NCc2cccn2C)NC(=O)C)cc(c1OC)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 C33H42N4O6 MW 590.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N4O6/c1-21(38)36-26-14-12-22-18-29(41-3)32(42-4)33(43-5)31(22)24-13-15-27(28(39)19-25(24)26)34-16-8-6-7-11-30(40)35-20-23-10-9-17-37(23)2/h9-10,13,15,17-19,26H,6-8,11-12,14,16,20H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/t26-/m0/s1InChIKey
WJVUHKDHJQCJTH-SANMLTNESA-NSynonyms
1630911-18-0(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Hpyrrol2yl)methyl)hexanamide
1630911180
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1methylpyrrol2yl)methyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1methyl1Hpyrrol2yl)methyl)hexanamide
91638495
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)NCc2cccn2C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H42N4O6c121(38)36261412221829(413)32(424)33(435)31(22)24131527(28(39)1925(24)26)34168671130(40)3520231091737(23)2h9101315171926H681112141620H215H3(H3439)(H3540)(H3638)t26m0s1
ZINC000217904437
ZINC217904437
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.