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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1-benzylpiperidin-4-yl)-L-alaninamide

Catalog ID
STL541387
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC2CCN(CC2)Cc2ccccc2)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 C36H44N4O6 MW 628.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O6/c1-22(36(43)39-26-15-17-40(18-16-26)21-24-9-7-6-8-10-24)37-30-14-12-27-28(20-31(30)42)29(38-23(2)41)13-11-25-19-32(44-3)34(45-4)35(46-5)33(25)27/h6-10,12,14,19-20,22,26,29H,11,13,15-18,21H2,1-5H3,(H,37,42)(H,38,41)(H,39,43)/t22-,29-/m0
InChIKey
HFAOQNPXYHYLQK-ZTOMLWHTSA-N
Synonyms
1574379-89-7
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1benzylpiperidin4yl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1benzylpiperidin4yl)propanamide
1574379897
75491849
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC2CCN(CC2)Cc2ccccc2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H44N4O6c122(36(43)3926151740(181626)212497681024)373014122728(2031(30)42)29(3823(2)41)1311251932(443)34(454)35(465)33(25)27h61012141920222629H1113151821H215H3(H3742)(H3841)(H3943)t2229m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1benzylpiperidin4yl)Lalaninamide
ZINC000108449694
ZINC108449694

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Available files

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

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