Vitas-M small molecule compound

1-[1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone

Catalog ID
STK606938
SMILES Clc1ccc(cc1)c1c(C(=O)C)n2c3c1CCCCn3c(c2)c1ccccc1

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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 C24H21ClN2O MW 388.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O/c1-16(28)23-22(18-10-12-19(25)13-11-18)20-9-5-6-14-26-21(15-27(23)24(20)26)17-7-3-2-4-8-17/h2-4,7-8,10-13,15H,5-6,9,14H2,1H3
InChIKey
HGBLRWFMCDRWNM-UHFFFAOYSA-N
Synonyms
326022-22-4
1(1(4chlorophenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)ethanone
326022224
CC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI=1SC24H21ClN2Oc116(28)2322(18101219(25)131118)20956142621(1527(23)24(20)26)177324817h2478101315H56914H21H3
MFCD02699640
ZINC000002284600
ZINC02284600
ZINC2284600

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Available files

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