Vitas-M small molecule compound

N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(piperidin-1-yl)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL524452
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CCCCC2)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 C26H32N2O5 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5/c1-16(29)27-20-10-8-17-14-23(31-2)25(32-3)26(33-4)24(17)18-9-11-21(22(30)15-19(18)20)28-12-6-5-7-13-28/h9,11,14-15,20H,5-8,10,12-13H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKey
WXVFMHNWBFGZHR-FQEVSTJZSA-N
Synonyms
165069-84-1
(S)N(123trimethoxy9oxo10(piperidin1yl)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10piperidin1yl67dihydro5~(H)benzo(a)heptalen7yl)acetamide
10789811
165069841
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N2CCCCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC26H32N2O5c116(29)2720108171423(312)25(323)26(334)24(17)1891121(22(30)1519(18)20)28126571328h911141520H58101213H214H3(H2729)t20m0s1
MFCD01547920
N((7S)123trimethoxy9oxo10(piperidin1yl)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000002944440
ZINC2944440

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Available files

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