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}glycinate

Catalog ID
STK621778
SMILES COC(=O)CNC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1

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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 C23H24ClN3O3 MW 425.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O3/c1-30-20(28)14-26-23(29)27-11-8-15(9-12-27)21-19-7-6-18(24)13-17(19)5-4-16-3-2-10-25-22(16)21/h2-3,6-7,10,13H,4-5,8-9,11-12,14H2,1H3,(H,26,29)
InChIKey
NWWAXNSAVTXAKQ-UHFFFAOYSA-N
Synonyms
929963-19-9
929963199
COC(=O)CNC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI=1SC23H24ClN3O3c13020(28)142623(29)2711815(91227)21197618(24)1317(19)541632102522(16)21h23671013H4589111214H21H3(H2629)
methyl2((4(8chloro56dihydrobenzo(12)cyclohepta(24b)pyridin11ylidene)piperidine1carbonyl)amino)acetate
methyl2(4(8chloro5Hbenzo(56)cyclohepta(12b)pyridin11(6H)ylidene)piperidine1carboxamido)acetate
methylN((4(8chloro56dihydro11Hbenzo(56)cyclohepta(12b)pyridin11ylidene)piperidin1yl)carbonyl)glycinate
MFCD09794701
ZINC000008993239
ZINC08993239
ZINC8993239

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Available files

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