Vitas-M small molecule compound

1-[4-(4-chlorophenyl)-4-oxo-3-phenylbutyl]azepanium

Catalog ID
STL149211
SMILES Clc1ccc(cc1)C(=O)C(c1ccccc1)CC[NH+]1CCCCCC1

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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 C22H27ClNO MW 356.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClNO/c23-20-12-10-19(11-13-20)22(25)21(18-8-4-3-5-9-18)14-17-24-15-6-1-2-7-16-24/h3-5,8-13,21H,1-2,6-7,14-17H2/p+1
InChIKey
XNTWQMVSAZGUID-UHFFFAOYSA-O
Synonyms

1(4(4chlorophenyl)4oxo3phenylbutyl)azepanium
4(AZEPAN1IUM1YL)1(4CHLOROPHENYL)2PHENYLBUTAN1ONE
C1CCC(NH+)(CC1)CCC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
Clc1ccc(cc1)C(=O)C(c1ccccc1)CC(NH+)1CCCCCC1
InChI=1SC22H26ClNOc2320121019(111320)22(25)21(188435918)1417241561271624h3581321H12671417H2p+1
ZINC000005003909
ZINC000005003910

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Available files

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