Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

Catalog ID
STL540613
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NC2CC(C)(C)NC(C2)(C)C)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 C34H48N4O6 MW 608.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H48N4O6/c1-20(39)36-25-13-11-21-16-28(42-6)31(43-7)32(44-8)30(21)23-12-14-26(27(40)17-24(23)25)35-15-9-10-29(41)37-22-18-33(2,3)38-34(4,5)19-22/h12,14,16-17,22,25,38H,9-11,13,15,18-19H2,1-8H3,(H,35,40)(H,36,39)(H,37,41)/t25-/m0/s1
InChIKey
CYZJRIVFPHFFRD-VWLOTQADSA-N
Synonyms
1574345-14-4
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2266tetramethylpiperidin4yl)butanamide
1574345144
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2266tetramethylpiperidin4yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2266tetramethylpiperidin4yl)butanamide
75492027
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NC2CC(C)(C)NC(C2)(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H48N4O6c120(39)36251311211628(426)31(437)32(448)30(21)23121426(27(40)1724(23)25)351591029(41)37221833(23)3834(45)1922h12141617222538H91113151819H218H3(H3540)(H3639)(H3741)t25m0s1
ZINC000108450134
ZINC108450134

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.