Vitas-M small molecule compound

methyl N-{[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl]carbonyl}-L-alaninate

Catalog ID
STK625029
SMILES COC(=O)[C@@H](NC(=O)N1CC/C(=C/2\c3ccc(cc3CCc3c2nccc3)Cl)/CC1)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 C24H26ClN3O3 MW 439.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O3/c1-15(23(29)31-2)27-24(30)28-12-9-16(10-13-28)21-20-8-7-19(25)14-18(20)6-5-17-4-3-11-26-22(17)21/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3,(H,27,30)/t15-/m0/s1
InChIKey
IZOAROCZSIIDBY-HNNXBMFYSA-N
Synonyms
957025-13-7
(S)methyl2(4(8chloro5Hbenzo(56)cyclohepta(12b)pyridin11(6H)ylidene)piperidine1carboxamido)propanoate
957025137
CC(C(=O)OC)NC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
COC(=O)(C@@H)(NC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1)C
InChI=1SC24H26ClN3O3c115(23(29)312)2724(30)2812916(101328)21208719(25)1418(20)651743112622(17)21h3478111415H569101213H212H3(H2730)t15m0s1
methyl(2S)2((4(8chloro56dihydrobenzo(12)cyclohepta(24b)pyridin11ylidene)piperidine1carbonyl)amino)propanoate
methylN((4(8chloro56dihydro11Hbenzo(56)cyclohepta(12b)pyridin11ylidene)piperidin1yl)carbonyl)Lalaninate
MFCD09794033
ZINC000009422318
ZINC09422318
ZINC9422318

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Available files

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